smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016024736 210183095 /nfs/dbraw/zinc/18/30/95/210183095.db2.gz HWFXDYWQMGAYIQ-VECPYEALSA-N 1 0 384.436 0.471 50 0 GCAARO C[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000032996726 530175440 /nfs/dbraw/zinc/17/54/40/530175440.db2.gz WOJSFWOQHCAQOK-UHFFFAOYSA-N 1 0 386.543 0.510 50 0 GCAARO NS(=O)(=O)c1ccc(Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)cc1 ZINC000065492424 530206404 /nfs/dbraw/zinc/20/64/04/530206404.db2.gz KJRCVTNUCDQTNL-UHFFFAOYSA-N 1 0 376.463 0.799 50 0 GCAARO CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N1CCOCC1 ZINC000585152198 530227914 /nfs/dbraw/zinc/22/79/14/530227914.db2.gz ACTKLAWCIHAYNJ-GXTWGEPZSA-N 1 0 379.394 0.537 50 0 GCAARO CCOP(=O)(OCC)[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N1CCOCC1 ZINC000585152201 530228508 /nfs/dbraw/zinc/22/85/08/530228508.db2.gz ACTKLAWCIHAYNJ-TZMCWYRMSA-N 1 0 379.394 0.537 50 0 GCAARO Cc1csc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000095366753 530240486 /nfs/dbraw/zinc/24/04/86/530240486.db2.gz DXQPNXVENRBMLU-HUUCEWRRSA-N 1 0 384.571 0.858 50 0 GCAARO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCC[NH+](C)C)C1=O ZINC000097957217 530213990 /nfs/dbraw/zinc/21/39/90/530213990.db2.gz IQLMFWXBQRDMIW-ZDUSSCGKSA-N 1 0 397.273 0.651 50 0 GCAARO Nc1cc(N)[nH+]c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000005229329 530303436 /nfs/dbraw/zinc/30/34/36/530303436.db2.gz BGGDVBROJDZWBF-UHFFFAOYSA-N 1 0 381.483 0.954 50 0 GCAARO CNC(=O)NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047262012 530401377 /nfs/dbraw/zinc/40/13/77/530401377.db2.gz FCOHNQUQJDTWJO-JTQLQIEISA-N 1 0 398.261 0.950 50 0 GCAARO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000048275107 530453982 /nfs/dbraw/zinc/45/39/82/530453982.db2.gz QRYLJWUDPXUQEC-UHFFFAOYSA-N 1 0 375.516 0.829 50 0 GCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)CN2C1=O ZINC000014540128 210120261 /nfs/dbraw/zinc/12/02/61/210120261.db2.gz BGQPGQMUJFEKBM-KKUMJFAQSA-N 1 0 377.420 0.544 50 0 GCAARO COCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000670443603 530938502 /nfs/dbraw/zinc/93/85/02/530938502.db2.gz VYRVSTROUASKGJ-AWEZNQCLSA-N 1 0 390.527 0.727 50 0 GCAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000013574752 210069581 /nfs/dbraw/zinc/06/95/81/210069581.db2.gz HWFXDYWQMGAYIQ-LQDQTWRSSA-N 1 0 384.436 0.471 50 0 GCAARO Cn1c(=O)c2cc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cnc2n(C)c1=O ZINC000013004336 210045949 /nfs/dbraw/zinc/04/59/49/210045949.db2.gz WNBWPDCCDUYTMI-MRXNPFEDSA-N 1 0 399.426 0.804 50 0 GCAARO CC[N@H+](CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000608191 209250260 /nfs/dbraw/zinc/25/02/60/209250260.db2.gz VVUYEFBRTFASAH-UHFFFAOYSA-N 1 0 385.468 0.339 50 0 in-man GCAARO Cn1c2cc(Br)c(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cc2n(C)c1=O ZINC000122725741 212057412 /nfs/dbraw/zinc/05/74/12/212057412.db2.gz XJRUDANVYNBFQE-MRVPVSSYSA-N 1 0 389.275 0.361 50 0 GCAARO O=C(Cn1cccn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299799871 212040884 /nfs/dbraw/zinc/04/08/84/212040884.db2.gz VCRDLOXCNOMMAV-SFHVURJKSA-N 1 0 389.500 0.349 50 0 GCAARO CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)cc2C1 ZINC000299781469 212036812 /nfs/dbraw/zinc/03/68/12/212036812.db2.gz LIQJZJNTEAIMDY-HNNXBMFYSA-N 1 0 377.489 0.466 50 0 GCAARO CC(C)C(=O)N1CCn2nc(CNC(=O)CN3CCC[N@H+](C)CC3)cc2C1 ZINC000299785281 212036372 /nfs/dbraw/zinc/03/63/72/212036372.db2.gz ZPKSECSBQAGDLR-UHFFFAOYSA-N 1 0 376.505 0.135 50 0 GCAARO CN(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000004519279 204049311 /nfs/dbraw/zinc/04/93/11/204049311.db2.gz FGURUDBXPLLHRL-CYBMUJFWSA-N 1 0 399.494 0.650 50 0 GCAARO CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000004519278 204050009 /nfs/dbraw/zinc/05/00/09/204050009.db2.gz FGURUDBXPLLHRL-ZDUSSCGKSA-N 1 0 399.494 0.650 50 0 GCAARO C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006840420 204215503 /nfs/dbraw/zinc/21/55/03/204215503.db2.gz WALBIVLZDGPIAT-GOEBONIOSA-N 1 0 397.497 0.803 50 0 GCAARO O=C(NCc1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2)[C@@H]1CCC(=O)N1 ZINC000012197380 204381617 /nfs/dbraw/zinc/38/16/17/204381617.db2.gz HMWWQXWRABAJEN-KRWDZBQOSA-N 1 0 396.495 0.664 50 0 GCAARO CN1C(=O)N(CC(=O)N2CCC(OCCC[NH3+])CC2)C(=O)C12CCCCC2 ZINC000299739572 205091089 /nfs/dbraw/zinc/09/10/89/205091089.db2.gz QHBOSGAMDFOXKW-UHFFFAOYSA-N 1 0 380.489 0.940 50 0 GCAARO C[NH+](C)C1(CNC(=O)c2nc(CC(=O)N3CCOCC3)no2)CCCCC1 ZINC000049547559 205127810 /nfs/dbraw/zinc/12/78/10/205127810.db2.gz NFGDCHMYVSFHBS-UHFFFAOYSA-N 1 0 379.461 0.465 50 0 GCAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000045944731 205100434 /nfs/dbraw/zinc/10/04/34/205100434.db2.gz BBIWLEJVRQYKQP-UHFFFAOYSA-N 1 0 399.513 0.926 50 0 GCAARO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000058367520 205173473 /nfs/dbraw/zinc/17/34/73/205173473.db2.gz VRDGIEDMNZHCQI-INIZCTEOSA-N 1 0 396.513 0.267 50 0 GCAARO Cn1ncc2c3ccccc3n(CC(=O)NCCN3CC[NH+](C)CC3)c2c1=O ZINC000064775920 205195977 /nfs/dbraw/zinc/19/59/77/205195977.db2.gz ZTRXYAUWHZUXBH-UHFFFAOYSA-N 1 0 382.468 0.252 50 0 GCAARO O=C(C[NH+]1CCCCC1)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1 ZINC000065396232 205233261 /nfs/dbraw/zinc/23/32/61/205233261.db2.gz ADGXRUIAINIWBY-UHFFFAOYSA-N 1 0 375.473 0.574 50 0 GCAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CCN3CCNC3=O)C2=O)c1 ZINC000067460206 205249366 /nfs/dbraw/zinc/24/93/66/205249366.db2.gz YKVKIPDLEWVWJC-IBGZPJMESA-N 1 0 394.447 0.303 50 0 GCAARO CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000067622711 205252006 /nfs/dbraw/zinc/25/20/06/205252006.db2.gz URPQZRSCSHUBQG-UHFFFAOYSA-N 1 0 394.541 0.588 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)Nc3ccc(F)cc3)nn2)C[NH2+]1 ZINC000067692572 205255954 /nfs/dbraw/zinc/25/59/54/205255954.db2.gz DZJMDDYNIYAHCJ-CABCVRRESA-N 1 0 375.408 0.730 50 0 GCAARO CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)c3cccc(Cl)c3F)nn2)C[NH2+]1 ZINC000067692805 205257564 /nfs/dbraw/zinc/25/75/64/205257564.db2.gz RHJJOKMGPUKMHX-FZMZJTMJSA-N 1 0 394.838 0.992 50 0 GCAARO O=C(c1ccc(NCCOCCO)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067769712 205259464 /nfs/dbraw/zinc/25/94/64/205259464.db2.gz GZQMTCBMXRSWKI-UHFFFAOYSA-N 1 0 378.473 0.439 50 0 GCAARO O=C1OCCN1CC[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067820660 205263311 /nfs/dbraw/zinc/26/33/11/205263311.db2.gz GKURXTQAFNSIOH-SFHVURJKSA-N 1 0 383.395 0.860 50 0 GCAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CC(=O)NC(C)C)C2=O)c1 ZINC000067947139 205268786 /nfs/dbraw/zinc/26/87/86/205268786.db2.gz BLDLJBNRKKLMLO-LJQANCHMSA-N 1 0 381.448 0.802 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)NC(=O)c3ccccc3OC)nn2)C[NH2+]1 ZINC000067910411 205269177 /nfs/dbraw/zinc/26/91/77/205269177.db2.gz LTVAAVXWLCADRW-OCCSQVGLSA-N 1 0 386.456 0.601 50 0 GCAARO CNS(=O)(=O)CC[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067446929 205246845 /nfs/dbraw/zinc/24/68/45/205246845.db2.gz ACVGAIFTECPKJY-QGZVFWFLSA-N 1 0 375.535 0.449 50 0 GCAARO Cc1nnc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 ZINC000071439968 205282712 /nfs/dbraw/zinc/28/27/12/205282712.db2.gz VVQODFVGWMWPMG-MRXNPFEDSA-N 1 0 377.489 0.913 50 0 GCAARO C[NH2+][C@@H](C)C(=O)NCc1cc2c(=O)n(CCc3ccccn3)cc-2[nH]c1OC ZINC000071589530 205285877 /nfs/dbraw/zinc/28/58/77/205285877.db2.gz RQOUJTURVAXJOR-ZDUSSCGKSA-N 1 0 383.452 0.908 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC000071524250 205286053 /nfs/dbraw/zinc/28/60/53/205286053.db2.gz GGUJWNPJQVCGHT-HNNXBMFYSA-N 1 0 377.489 0.499 50 0 GCAARO CN(Cc1nncn1C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071721403 205286563 /nfs/dbraw/zinc/28/65/63/205286563.db2.gz GDPCOKVILRNNDS-MRXNPFEDSA-N 1 0 388.516 0.887 50 0 GCAARO Cn1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071749297 205289072 /nfs/dbraw/zinc/28/90/72/205289072.db2.gz KUGGASOHYALYDQ-HNNXBMFYSA-N 1 0 388.516 0.814 50 0 GCAARO Cc1c(CN2CC[NH2+][C@@H](C(=O)N3CCCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000072121071 205304128 /nfs/dbraw/zinc/30/41/28/205304128.db2.gz HKQBDEKKXQBOPF-LJQANCHMSA-N 1 0 383.496 0.881 50 0 GCAARO C[NH+](C)CCNC(=O)Cn1c2ccccc2c(=O)n(Cc2ccccc2)c1=O ZINC000071280803 205280231 /nfs/dbraw/zinc/28/02/31/205280231.db2.gz BUFSEKUWENEJQS-UHFFFAOYSA-N 1 0 380.448 0.889 50 0 GCAARO O=C(N1CCOCC1)N1CCC(n2ccnc2-c2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072429779 205351135 /nfs/dbraw/zinc/35/11/35/205351135.db2.gz FQQVRIWKSUYDSD-UHFFFAOYSA-N 1 0 385.472 0.939 50 0 GCAARO [NH3+][C@@H](CCO)C(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077338236 205359824 /nfs/dbraw/zinc/35/98/24/205359824.db2.gz CICBXGDEUDCREF-INIZCTEOSA-N 1 0 377.441 0.589 50 0 GCAARO CN(CC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1)Cc1ccccc1F ZINC000077437357 205363026 /nfs/dbraw/zinc/36/30/26/205363026.db2.gz BFGJEDZRICUUHE-FQEVSTJZSA-N 1 0 379.476 0.943 50 0 GCAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCc2c(=O)[nH]c(CC3CC3)nc2C1 ZINC000072418712 205347549 /nfs/dbraw/zinc/34/75/49/205347549.db2.gz MTFLMSPGDDVSNV-UHFFFAOYSA-N 1 0 382.468 0.540 50 0 GCAARO C[NH+](C)CC(C)(C)CN1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072423743 205348657 /nfs/dbraw/zinc/34/86/57/205348657.db2.gz AFJVABHRWSHUQZ-MSOLQXFVSA-N 1 0 380.558 0.953 50 0 GCAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2C1 ZINC000082127682 205386723 /nfs/dbraw/zinc/38/67/23/205386723.db2.gz YZGDVOMBQIVLII-UHFFFAOYSA-N 1 0 376.461 0.301 50 0 GCAARO CCN(C)C(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082114654 205387995 /nfs/dbraw/zinc/38/79/95/205387995.db2.gz HVDDQEDWTCNWSZ-QGZVFWFLSA-N 1 0 380.533 0.500 50 0 GCAARO O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCCn2cccn2)c1 ZINC000215518978 211741425 /nfs/dbraw/zinc/74/14/25/211741425.db2.gz CXCDKQDORJHKIU-HNNXBMFYSA-N 1 0 377.470 0.343 50 0 GCAARO CNc1cc([C@H]2C[C@@H](NC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)C2)nc(N)n1 ZINC000252481527 206138830 /nfs/dbraw/zinc/13/88/30/206138830.db2.gz CNMXQXOVJIKZAN-KVVVAFMNSA-N 1 0 385.476 0.810 50 0 GCAARO Cn1c(CN2CCC(C(=O)NCc3ccccn3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244748523 206130603 /nfs/dbraw/zinc/13/06/03/206130603.db2.gz OJCFXZHVMHMYMQ-WKILWMFISA-N 1 0 383.500 0.943 50 0 GCAARO O=C(NCC1([NH+]2CCCC2)CCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000244701302 206130847 /nfs/dbraw/zinc/13/08/47/206130847.db2.gz KDTQPEGWSVPPKZ-AWEZNQCLSA-N 1 0 375.473 0.516 50 0 GCAARO COc1ccccc1C(=O)N1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)CC1 ZINC000244724087 206131613 /nfs/dbraw/zinc/13/16/13/206131613.db2.gz MNHKXLBKCRCYHF-GASCZTMLSA-N 1 0 384.484 0.986 50 0 GCAARO C[N@@H+]1CCOC[C@H](CNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000299785134 206189813 /nfs/dbraw/zinc/18/98/13/206189813.db2.gz JUUIZKANKOWJJP-SNVBAGLBSA-N 1 0 376.866 0.687 50 0 GCAARO CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2cc(C[NH+](C)C)cs2)C[C@H]1O ZINC000299801758 206193690 /nfs/dbraw/zinc/19/36/90/206193690.db2.gz XSXYDMCAOUUABI-HUUCEWRRSA-N 1 0 376.548 0.141 50 0 GCAARO Cc1c(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)nnn1C1CC[NH2+]CC1 ZINC000237801775 211476148 /nfs/dbraw/zinc/47/61/48/211476148.db2.gz ITWJEZFDSFCQIN-CYBMUJFWSA-N 1 0 395.410 0.959 50 0 GCAARO CCN(Cc1nc(C)no1)S(=O)(=O)c1cccc(C(=O)NCC[NH2+]C)c1 ZINC000097679977 211370242 /nfs/dbraw/zinc/37/02/42/211370242.db2.gz XETZNSXMTSXHBW-UHFFFAOYSA-N 1 0 381.458 0.538 50 0 GCAARO Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N3CC[NH2+]CC3)c2)n(C)n1 ZINC000097638010 211369393 /nfs/dbraw/zinc/36/93/93/211369393.db2.gz AVNUAQNFIWNYPQ-UHFFFAOYSA-N 1 0 377.470 0.252 50 0 GCAARO Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@@H](C)C3)c2)[nH]1 ZINC000097532578 211366957 /nfs/dbraw/zinc/36/69/57/211366957.db2.gz BDNNJQGLMRUOKK-NSHDSACASA-N 1 0 378.458 0.026 50 0 GCAARO CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000097104235 211356568 /nfs/dbraw/zinc/35/65/68/211356568.db2.gz LBGRECITVLBACR-AWEZNQCLSA-N 1 0 377.532 0.615 50 0 GCAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCn3cnnc3)C2)cc1 ZINC000095529786 211275867 /nfs/dbraw/zinc/27/58/67/211275867.db2.gz BEZOHDJMRXICMJ-HNNXBMFYSA-N 1 0 379.486 0.977 50 0 GCAARO O=C(CCn1nnnc1CN1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000095528158 211273224 /nfs/dbraw/zinc/27/32/24/211273224.db2.gz LFBXXHSRBRVBJZ-UHFFFAOYSA-N 1 0 399.499 0.070 50 0 GCAARO Cc1cccc2nc(Cn3ncc(N4CCC[N@@H+](C)CC4)cc3=O)cc(=O)n12 ZINC000095528222 211272783 /nfs/dbraw/zinc/27/27/83/211272783.db2.gz NWWQSUCJEHNODE-UHFFFAOYSA-N 1 0 380.452 0.750 50 0 GCAARO O=C(Cc1c[nH]c(=O)[nH]c1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095521197 211266891 /nfs/dbraw/zinc/26/68/91/211266891.db2.gz LHMPFWQCRQFSTQ-QXAKKESOSA-N 1 0 398.438 0.834 50 0 GCAARO COc1ccc(CN2CCN(C)C(=O)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095501251 211253546 /nfs/dbraw/zinc/25/35/46/211253546.db2.gz PBKGBYOKFIGTNS-KRWDZBQOSA-N 1 0 377.485 0.805 50 0 GCAARO 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382.549 0.792 50 0 GCAARO COc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+](C)C)s2)cc1 ZINC000032987359 570574736 /nfs/dbraw/zinc/57/47/36/570574736.db2.gz BPKZLJRZZVWELJ-UHFFFAOYSA-N 1 0 393.469 0.993 50 0 GCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019370369 570596423 /nfs/dbraw/zinc/59/64/23/570596423.db2.gz HMSAIGOZLMKVAN-OSSFJEMISA-N 1 0 378.513 0.881 50 0 biogenic GCAARO OCC(CO)(CO)[NH2+]C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421988 570673187 /nfs/dbraw/zinc/67/31/87/570673187.db2.gz JNTURZSSRWZGQN-CYBMUJFWSA-N 1 0 382.888 0.840 50 0 GCAARO CC[NH+]1CCN(CCNC(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)CC1 ZINC000169768956 570674744 /nfs/dbraw/zinc/67/47/44/570674744.db2.gz QECGOKWNPWFHPN-UHFFFAOYSA-N 1 0 395.467 0.452 50 0 GCAARO COC(=O)Cc1occc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000242047851 570687905 /nfs/dbraw/zinc/68/79/05/570687905.db2.gz VQQJPELYPPYAFV-UHFFFAOYSA-N 1 0 377.441 0.765 50 0 GCAARO CC(C)O[C@H]1C[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000055393463 570694480 /nfs/dbraw/zinc/69/44/80/570694480.db2.gz VXQCEABOUSQNKC-OALUTQOASA-N 1 0 378.469 0.894 50 0 GCAARO COc1cccc(C[NH2+]CC2(C)COC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012718184 570705413 /nfs/dbraw/zinc/70/54/13/570705413.db2.gz WNGRIQAJGCLQLN-KRWDZBQOSA-N 1 0 380.485 0.893 50 0 GCAARO COc1cccc(C[NH2+]CC2(C)COC2)c1OC[C@H](O)CN1CCOCC1 ZINC000012718186 570705353 /nfs/dbraw/zinc/70/53/53/570705353.db2.gz WNGRIQAJGCLQLN-QGZVFWFLSA-N 1 0 380.485 0.893 50 0 GCAARO Cc1nnc2c(=O)n(CC(=O)NCC[NH+]3CCCCCC3)c3cccnc3n12 ZINC000065173030 570721227 /nfs/dbraw/zinc/72/12/27/570721227.db2.gz OUKRLFPGMNCGEE-UHFFFAOYSA-N 1 0 383.456 0.740 50 0 GCAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000065361940 570759760 /nfs/dbraw/zinc/75/97/60/570759760.db2.gz RUVWDLAEEAMUKH-UHFFFAOYSA-N 1 0 380.514 0.447 50 0 GCAARO CC[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccc(NC(C)=O)cc3)C(=O)N2)CC1 ZINC000013726712 570781901 /nfs/dbraw/zinc/78/19/01/570781901.db2.gz DQDKJZACMAZKFM-INIZCTEOSA-N 1 0 386.456 0.466 50 0 GCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)c2ccccc2)CC1 ZINC000004454214 570784617 /nfs/dbraw/zinc/78/46/17/570784617.db2.gz NCCRUDGKMCTBGD-OAHLLOKOSA-N 1 0 398.467 0.299 50 0 GCAARO CC[N@H+](CCO)CCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000170597584 570855735 /nfs/dbraw/zinc/85/57/35/570855735.db2.gz UIJZORSNOSOXHT-UHFFFAOYSA-N 1 0 395.481 0.802 50 0 GCAARO CCC[NH+]1CCN(CCCNC(=O)[C@H](C)N2c3cc(C)nn3CCC2=O)CC1 ZINC000022937198 570881556 /nfs/dbraw/zinc/88/15/56/570881556.db2.gz UGTACPZYICXVCY-KRWDZBQOSA-N 1 0 390.532 0.851 50 0 GCAARO COCCN1CC[C@H](N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000097086734 570890636 /nfs/dbraw/zinc/89/06/36/570890636.db2.gz PIMZVWVQNDIBEI-KRWDZBQOSA-N 1 0 399.488 0.769 50 0 GCAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccn2)c2cccnc2)CC1 ZINC000023203169 570967893 /nfs/dbraw/zinc/96/78/93/570967893.db2.gz JJALZZAFDVNZIN-LJQANCHMSA-N 1 0 396.495 0.588 50 0 GCAARO Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2)o1 ZINC000044902339 570981814 /nfs/dbraw/zinc/98/18/14/570981814.db2.gz KGRFTHXTAPZTAY-UHFFFAOYSA-N 1 0 386.456 0.737 50 0 GCAARO CC[NH+]1CCN(C2=N[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2)CC1 ZINC000019528113 570998114 /nfs/dbraw/zinc/99/81/14/570998114.db2.gz YTPNAIOXOQLCJO-INIZCTEOSA-N 1 0 386.456 0.466 50 0 GCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)CN3Cc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000091391357 571005910 /nfs/dbraw/zinc/00/59/10/571005910.db2.gz BXYHRULSZRLNGP-NHCUHLMSSA-N 1 0 386.540 0.707 50 0 GCAARO COCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974443 571007736 /nfs/dbraw/zinc/00/77/36/571007736.db2.gz QXGDDJRNOZOYMC-UHFFFAOYSA-N 1 0 383.514 0.879 50 0 GCAARO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCC1 ZINC000170673716 571008454 /nfs/dbraw/zinc/00/84/54/571008454.db2.gz UTWARFHUGDFJCG-UHFFFAOYSA-N 1 0 377.470 0.667 50 0 GCAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCC(=O)N1)CC2 ZINC000091452469 571009347 /nfs/dbraw/zinc/00/93/47/571009347.db2.gz MTYRFFNJDRLAPY-OAHLLOKOSA-N 1 0 385.468 0.691 50 0 GCAARO O=c1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)[nH]c(=O)[nH]1 ZINC000091475358 571010376 /nfs/dbraw/zinc/01/03/76/571010376.db2.gz XNUJERIKFUHBTN-FQEVSTJZSA-N 1 0 383.452 0.863 50 0 GCAARO Cn1cc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c(=O)[nH]c1=O ZINC000091694223 571026348 /nfs/dbraw/zinc/02/63/48/571026348.db2.gz SAGJJGMZNDOZPU-UHFFFAOYSA-N 1 0 386.456 0.348 50 0 GCAARO COc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)ccn1 ZINC000092096901 571044956 /nfs/dbraw/zinc/04/49/56/571044956.db2.gz IHEGUHVAXOSZNX-SJORKVTESA-N 1 0 376.501 0.798 50 0 GCAARO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)n(C)c1=O ZINC000095372047 571061925 /nfs/dbraw/zinc/06/19/25/571061925.db2.gz MRQNCCXPMZGJHD-GOEBONIOSA-N 1 0 383.452 0.216 50 0 GCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 ZINC000095387644 571070733 /nfs/dbraw/zinc/07/07/33/571070733.db2.gz SGRNHMSWPXWYRP-MRXNPFEDSA-N 1 0 381.498 0.922 50 0 GCAARO CCN(C[C@H]1CCCO1)C(=O)Cn1ncc(N2CCC[N@H+](C)CC2)cc1=O ZINC000095523116 571088310 /nfs/dbraw/zinc/08/83/10/571088310.db2.gz PZFGOKBRTXGMFV-QGZVFWFLSA-N 1 0 377.489 0.413 50 0 GCAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000095523333 571088628 /nfs/dbraw/zinc/08/86/28/571088628.db2.gz MGGDSVVCFICBOR-CABCVRRESA-N 1 0 389.500 0.776 50 0 GCAARO COc1cccc(CN2CC3(CC2=O)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC3)c1 ZINC000095528694 571092007 /nfs/dbraw/zinc/09/20/07/571092007.db2.gz YJLQCFPHNHJTTF-AEFFLSMTSA-N 1 0 387.480 0.759 50 0 GCAARO COCC[NH+]1CCC(CN(C)S(=O)(=O)N2CCC(COC)CC2)CC1 ZINC000952989364 642060300 /nfs/dbraw/zinc/06/03/00/642060300.db2.gz WNRLGSJSMMJQET-UHFFFAOYSA-N 1 0 377.551 0.880 50 0 GCAARO COc1ccc(/C=C\C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1S(N)(=O)=O ZINC000888096894 1192445744 /nfs/dbraw/zinc/44/57/44/1192445744.db2.gz PFDIDAGFWGNZET-SUZKBHRPSA-N 1 0 379.482 0.958 50 0 GCAARO C[C@@H]1CN(c2ncnc3c2ncn3CC2(CO)COC2)CC[N@@H+]1CC(C)(C)O ZINC000888097173 1192446506 /nfs/dbraw/zinc/44/65/06/1192446506.db2.gz DCDLQOROGUNMAR-CQSZACIVSA-N 1 0 390.488 0.117 50 0 GCAARO Cc1cccc(CC[N@H+]2CCCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)n1 ZINC001772700291 1187630332 /nfs/dbraw/zinc/63/03/32/1187630332.db2.gz BUPNUTHVHVFAFW-KRWDZBQOSA-N 1 0 387.484 0.749 50 0 GCAARO CCOC(=O)N1CCC([N@@H+]2C[C@@H]3CN(Cc4nccn4C)C[C@]3(CO)C2)CC1 ZINC001772702020 1187632225 /nfs/dbraw/zinc/63/22/25/1187632225.db2.gz IVGDDFZXZHTVFY-OXJNMPFZSA-N 1 0 391.516 0.767 50 0 GCAARO C[NH+](C)C[C@]12CN(C(=O)CCS(C)(=O)=O)C[C@H]1CN(C(=O)C1CCC1)C2 ZINC001772708952 1187648558 /nfs/dbraw/zinc/64/85/58/1187648558.db2.gz LZDQTMXYOMFUTN-MAUKXSAKSA-N 1 0 385.530 0.070 50 0 GCAARO Cc1noc(C)c1CC(=O)N1CCCN(CCn2c(=O)cc(C)[nH]c2=O)CC1 ZINC001772710938 1187654083 /nfs/dbraw/zinc/65/40/83/1187654083.db2.gz USXMXIBFNPXQQF-UHFFFAOYSA-N 1 0 389.456 0.639 50 0 GCAARO CCn1nccc1C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802469 1187722996 /nfs/dbraw/zinc/72/29/96/1187722996.db2.gz IOWMXWCOIKKTPD-KRWDZBQOSA-N 1 0 389.500 0.688 50 0 GCAARO CCn1cc(C[N@@H+]2CC[C@H]3N(C)S(=O)(=O)CC[C@]3(C(=O)N(C)C)C2)c(C)n1 ZINC000675011570 1189664089 /nfs/dbraw/zinc/66/40/89/1189664089.db2.gz UAPWPWGGYARANM-AEFFLSMTSA-N 1 0 397.545 0.526 50 0 GCAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCNC(=O)[C@@H]1CCO ZINC000584891571 1189702373 /nfs/dbraw/zinc/70/23/73/1189702373.db2.gz BRUWFBJNKYASIF-KRWDZBQOSA-N 1 0 378.448 0.683 50 0 GCAARO C[N@@H+]1CCOC[C@@H](CNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000584891613 1189702750 /nfs/dbraw/zinc/70/27/50/1189702750.db2.gz OYCDKRUDPKBMNH-KRWDZBQOSA-N 1 0 390.484 0.821 50 0 GCAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000584894295 1189704018 /nfs/dbraw/zinc/70/40/18/1189704018.db2.gz GGKKTHCMVMRONX-HNNXBMFYSA-N 1 0 377.493 0.636 50 0 GCAARO Cn1cncc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299796778 1189882866 /nfs/dbraw/zinc/88/28/66/1189882866.db2.gz OJQCTYFZNBSSQO-KRWDZBQOSA-N 1 0 389.500 0.499 50 0 GCAARO OCCNc1nc([C@H]2CCOC2)cc(N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000426478049 1195344155 /nfs/dbraw/zinc/34/41/55/1195344155.db2.gz RMBVHACXXUDNCK-HNNXBMFYSA-N 1 0 377.489 0.686 50 0 GCAARO O=C1CC[N@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CCN1 ZINC000012052838 1199615506 /nfs/dbraw/zinc/61/55/06/1199615506.db2.gz HIKHRVHGFGQCDT-KRWDZBQOSA-N 1 0 379.526 0.797 50 0 GCAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CN2CCCC2=O)CC1 ZINC000012298761 1199755238 /nfs/dbraw/zinc/75/52/38/1199755238.db2.gz FPVKMSTUWDOICY-GOSISDBHSA-N 1 0 381.517 0.975 50 0 GCAARO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299749071 1199922301 /nfs/dbraw/zinc/92/23/01/1199922301.db2.gz JCMDUZBHZCLYIQ-HRCADAONSA-N 1 0 387.402 0.918 50 0 GCAARO C[C@H](O)Cn1c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056966682 1199951573 /nfs/dbraw/zinc/95/15/73/1199951573.db2.gz PCQNZSLEWKSLAQ-AWEZNQCLSA-N 1 0 398.467 0.126 50 0 GCAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000003906605 1200097587 /nfs/dbraw/zinc/09/75/87/1200097587.db2.gz PGRMHAPUVITXCQ-UHFFFAOYSA-N 1 0 376.457 0.798 50 0 GCAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000244933079 1200304112 /nfs/dbraw/zinc/30/41/12/1200304112.db2.gz CAFXISXRKMVUTA-QGZVFWFLSA-N 1 0 399.557 0.759 50 0 GCAARO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040267967 1200307997 /nfs/dbraw/zinc/30/79/97/1200307997.db2.gz DRMDTKCEHWEYQS-UHFFFAOYSA-N 1 0 398.485 0.289 50 0 GCAARO C[N@@H+]1C[C@@]2(C)CN(c3cc([C@H]4CCOC4)nc(NCCO)n3)C[C@@](C)(C1)C2 ZINC000426699922 1200688473 /nfs/dbraw/zinc/68/84/73/1200688473.db2.gz KTIZKNDKWULVKE-RYGJVYDSSA-N 1 0 375.517 1.553 50 0 GCAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(-c2cc(N3CCOCC3)nc(N)n2)c1 ZINC000584902972 1201146848 /nfs/dbraw/zinc/14/68/48/1201146848.db2.gz OAFBTVDNSDISLA-AWEZNQCLSA-N 1 0 382.468 0.996 50 0 GCAARO Cc1cc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nc(N)[nH+]1 ZINC000426396326 1201157591 /nfs/dbraw/zinc/15/75/91/1201157591.db2.gz AQNFJIGODFHFFF-CQSZACIVSA-N 1 0 386.504 0.836 50 0 GCAARO Cc1c[nH+]ccc1NCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000825253418 1201657877 /nfs/dbraw/zinc/65/78/77/1201657877.db2.gz NNPOTRHNIRQUJV-UHFFFAOYSA-N 1 0 375.454 0.393 50 0 GCAARO C[N@@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(S(=O)(=O)c1cccnc1)CC2 ZINC000575544268 1201756055 /nfs/dbraw/zinc/75/60/55/1201756055.db2.gz GTYYXKMSRPGWSS-KRWDZBQOSA-N 1 0 394.541 0.889 50 0 GCAARO CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CC1 ZINC000065407824 1201866857 /nfs/dbraw/zinc/86/68/57/1201866857.db2.gz DLPSSWGWQRGSJN-JKSUJKDBSA-N 1 0 382.482 0.990 50 0 GCAARO COCCn1ncc(N2CCC[C@H](CC(=O)N3CCC[N@H+](C)CC3)C2)cc1=O ZINC000581782972 1201897697 /nfs/dbraw/zinc/89/76/97/1201897697.db2.gz ZYJOSFIPHJIRHH-QGZVFWFLSA-N 1 0 391.516 0.660 50 0 GCAARO CCn1nc(C)c(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)c1C 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376.505 0.132 50 0 GCAARO C[NH+](C)CCNC(=O)c1nc(Cn2cc(I)cn2)no1 ZINC000004742724 204071817 /nfs/dbraw/zinc/07/18/17/204071817.db2.gz ARKCBSGESOPAGB-UHFFFAOYSA-N 1 0 390.185 0.210 50 0 GCAARO C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006840424 204214474 /nfs/dbraw/zinc/21/44/74/204214474.db2.gz WALBIVLZDGPIAT-GDBMZVCRSA-N 1 0 397.497 0.803 50 0 GCAARO C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006840410 204214754 /nfs/dbraw/zinc/21/47/54/204214754.db2.gz WALBIVLZDGPIAT-HOCLYGCPSA-N 1 0 397.497 0.803 50 0 GCAARO COc1ccc(CCn2c(N3CC[NH2+]CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000006174404 204170587 /nfs/dbraw/zinc/17/05/87/204170587.db2.gz USDDGVPIMZIIEA-UHFFFAOYSA-N 1 0 384.440 0.084 50 0 GCAARO CC1CC[NH+](CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 ZINC000006510656 204181865 /nfs/dbraw/zinc/18/18/65/204181865.db2.gz QEJVMONLEOUGML-UHFFFAOYSA-N 1 0 385.468 0.862 50 0 GCAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1 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376.486 0.965 50 0 GCAARO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000158168401 530258186 /nfs/dbraw/zinc/25/81/86/530258186.db2.gz YWGLMHAURPQTFA-JTQLQIEISA-N 1 0 376.276 0.968 50 0 GCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3Cl)CN2C1=O ZINC000014745327 210125997 /nfs/dbraw/zinc/12/59/97/210125997.db2.gz PXJAOPVSQHTUJV-DLOVCJGASA-N 1 0 384.889 0.728 50 0 GCAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+]([C@H](C)CO)CC2 ZINC000014741204 210125382 /nfs/dbraw/zinc/12/53/82/210125382.db2.gz RFXJGERWNQFHGX-OAHLLOKOSA-N 1 0 376.457 0.708 50 0 GCAARO COc1cc(F)c(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1OC ZINC000095950853 530922074 /nfs/dbraw/zinc/92/20/74/530922074.db2.gz DYGOETMUPFOUQA-UHFFFAOYSA-N 1 0 376.450 0.920 50 0 GCAARO O=C(CSC1=[NH+]CCN1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012812276 210013891 /nfs/dbraw/zinc/01/38/91/210013891.db2.gz KEBUODZGSAUOTM-UHFFFAOYSA-N 1 0 386.474 0.351 50 0 GCAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000796260 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376.505 0.663 50 0 GCAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067674275 205255399 /nfs/dbraw/zinc/25/53/99/205255399.db2.gz VDJYXEXZRKCIQY-KRWDZBQOSA-N 1 0 385.468 0.720 50 0 GCAARO Cn1nc(CO)c2c1CC[N@H+](C[C@]1(O)CCCN(CCc3ccccc3)C1=O)C2 ZINC000067713779 205256344 /nfs/dbraw/zinc/25/63/44/205256344.db2.gz MGYJMYXWPQZHKD-JOCHJYFZSA-N 1 0 398.507 0.867 50 0 GCAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]CCN1CCOCC1 ZINC000067740161 205258343 /nfs/dbraw/zinc/25/83/43/205258343.db2.gz KXEFFVJWAOMMAN-LJQANCHMSA-N 1 0 383.439 0.740 50 0 GCAARO O=C(c1cnc[nH]c1=O)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000067742954 205258938 /nfs/dbraw/zinc/25/89/38/205258938.db2.gz IXAHBZZDJDARNA-UHFFFAOYSA-N 1 0 387.484 0.709 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3cccc(Cl)c3)nn2)C[NH2+]1 ZINC000067743328 205259307 /nfs/dbraw/zinc/25/93/07/205259307.db2.gz VQDWXZGAULNJHR-KGLIPLIRSA-N 1 0 377.836 0.902 50 0 GCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000067755704 205259563 /nfs/dbraw/zinc/25/95/63/205259563.db2.gz WFUVGVOTVOKCQZ-UHFFFAOYSA-N 1 0 378.440 0.944 50 0 GCAARO CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3cccc(F)c3F)nn2)C[NH2+]1 ZINC000067784433 205260886 /nfs/dbraw/zinc/26/08/86/205260886.db2.gz QKUUZWDPGOJZJJ-GWCFXTLKSA-N 1 0 392.410 0.870 50 0 GCAARO COc1ccc2cc(C[NH+]3CCN(c4cnn(C)c(=O)c4)CC3)c(=O)[nH]c2c1 ZINC000067983576 205270588 /nfs/dbraw/zinc/27/05/88/205270588.db2.gz JNIHAITWGUBPKA-UHFFFAOYSA-N 1 0 381.436 0.953 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000071614800 205284721 /nfs/dbraw/zinc/28/47/21/205284721.db2.gz BGSBHIPXOZNBGQ-OAHLLOKOSA-N 1 0 375.473 0.556 50 0 GCAARO NC(=O)c1noc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071746057 205286811 /nfs/dbraw/zinc/28/68/11/205286811.db2.gz HQPYJJPMEHZEMQ-AWEZNQCLSA-N 1 0 390.488 0.467 50 0 GCAARO Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1=O ZINC000071730215 205286993 /nfs/dbraw/zinc/28/69/93/205286993.db2.gz VDKBMRHNUXSVJM-HNNXBMFYSA-N 1 0 386.496 0.981 50 0 GCAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1=O ZINC000071746661 205288746 /nfs/dbraw/zinc/28/87/46/205288746.db2.gz VDZFSNIKRIPVCF-MRXNPFEDSA-N 1 0 386.496 0.981 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC000071754675 205291994 /nfs/dbraw/zinc/29/19/94/205291994.db2.gz YLXLVHMHOLYFHR-QGZVFWFLSA-N 1 0 391.516 0.657 50 0 GCAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)no1 ZINC000071767683 205295738 /nfs/dbraw/zinc/29/57/38/205295738.db2.gz VJRMJYWIFKQMCF-INIZCTEOSA-N 1 0 377.489 0.913 50 0 GCAARO O=C([C@@H]1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC1 ZINC000072128336 205306942 /nfs/dbraw/zinc/30/69/42/205306942.db2.gz ZQRCUMPANSWZPV-KRWDZBQOSA-N 1 0 380.452 0.969 50 0 GCAARO NS(=O)(=O)Cc1cccc(NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072433010 205350512 /nfs/dbraw/zinc/35/05/12/205350512.db2.gz HAIJDVILLHMOBL-UHFFFAOYSA-N 1 0 377.470 0.736 50 0 GCAARO O=C(C[C@@H]1COCCN1C(=O)c1c[nH]c(=O)c(Cl)c1)NCC[NH+]1CCCC1 ZINC000072478803 205355598 /nfs/dbraw/zinc/35/55/98/205355598.db2.gz UFRSNCOPZTZSKJ-CQSZACIVSA-N 1 0 396.875 0.471 50 0 GCAARO Cc1cc(C)nc(CNC(=O)C[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072481032 205356039 /nfs/dbraw/zinc/35/60/39/205356039.db2.gz ANLQQBPNTHLZDP-MRXNPFEDSA-N 1 0 375.473 0.423 50 0 GCAARO CCc1c(C)cc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)c(=O)n1C ZINC000077356207 205360740 /nfs/dbraw/zinc/36/07/40/205360740.db2.gz NKRIFYAOVOTKBD-FQEVSTJZSA-N 1 0 377.485 0.555 50 0 GCAARO O=C(NC[C@@H]1COCCO1)c1ccc(C[NH+]2CCC3(CCO3)CC2)[nH]c1=O ZINC000077426185 205362726 /nfs/dbraw/zinc/36/27/26/205362726.db2.gz FSQKIFDBNWCEEV-OAHLLOKOSA-N 1 0 377.441 0.275 50 0 GCAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@H](C)O)CC3)OC2=O)CC1 ZINC000077554732 205366034 /nfs/dbraw/zinc/36/60/34/205366034.db2.gz SHWJNDNGIATPRN-INIZCTEOSA-N 1 0 382.505 0.208 50 0 GCAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000229714127 206109061 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1 0 389.481 0.296 50 0 GCAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)N3C[C@@H]4CC[NH2+][C@@H]4C3)c2)CC1 ZINC000097495436 211364137 /nfs/dbraw/zinc/36/41/37/211364137.db2.gz PZBDIUPJYOPOPO-DOTOQJQBSA-N 1 0 378.498 0.057 50 0 GCAARO O=C(NCc1ccc2c(c1)OCO2)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097019980 211355580 /nfs/dbraw/zinc/35/55/80/211355580.db2.gz GNCUWUYIWLVSHY-OAHLLOKOSA-N 1 0 395.481 0.866 50 0 GCAARO Cn1cc(/C=C\C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000096931972 211352203 /nfs/dbraw/zinc/35/22/03/211352203.db2.gz SDGOFFFPKAAOIO-HJWRWDBZSA-N 1 0 382.464 0.878 50 0 GCAARO Cc1cc(N2C[C@H]3C[N@@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)nc(N(C)C)[nH+]1 ZINC000096164147 211315700 /nfs/dbraw/zinc/31/57/00/211315700.db2.gz JDURUKOZMZANLX-AUUYWEPGSA-N 1 0 375.473 0.853 50 0 GCAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)c2ccccn2)CC1 ZINC000096133082 211304102 /nfs/dbraw/zinc/30/41/02/211304102.db2.gz QZQILRJIYFIXLT-UHFFFAOYSA-N 1 0 383.500 0.977 50 0 GCAARO CS[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000095939740 211284312 /nfs/dbraw/zinc/28/43/12/211284312.db2.gz CTIZQINVZOJEGE-JKSUJKDBSA-N 1 0 388.493 0.728 50 0 GCAARO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)C1)N1CCOCC1 ZINC000095527704 211272508 /nfs/dbraw/zinc/27/25/08/211272508.db2.gz UYFCZNYSFKMQPD-HNNXBMFYSA-N 1 0 399.455 0.172 50 0 GCAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCN(C(N)=O)CC2)cc1OC ZINC000095502175 211254788 /nfs/dbraw/zinc/25/47/88/211254788.db2.gz WBVWPOBYEZIHOS-KRWDZBQOSA-N 1 0 394.516 0.973 50 0 GCAARO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000095410320 211239479 /nfs/dbraw/zinc/23/94/79/211239479.db2.gz AJWFHXVUOPOBHY-UHFFFAOYSA-N 1 0 381.498 0.994 50 0 GCAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CN2CCNC(=O)C2)C3)cc1 ZINC000095358005 211223411 /nfs/dbraw/zinc/22/34/11/211223411.db2.gz DRGOJXFUAHOPNI-ZWKOTPCHSA-N 1 0 386.496 0.550 50 0 GCAARO O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000095360257 211223143 /nfs/dbraw/zinc/22/31/43/211223143.db2.gz SJEDYCPWJIVEKB-GOSISDBHSA-N 1 0 375.450 0.942 50 0 GCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1CO ZINC000095382807 211231895 /nfs/dbraw/zinc/23/18/95/211231895.db2.gz GZOYROGPQMVTDT-IAGOWNOFSA-N 1 0 388.468 0.042 50 0 GCAARO O=C(c1cccc(S(=O)(=O)NC[C@@]2(O)CC[NH2+]C2)c1)N1CCCCCC1 ZINC000095377779 211230216 /nfs/dbraw/zinc/23/02/16/211230216.db2.gz YHMMPIUBUDTELJ-GOSISDBHSA-N 1 0 381.498 0.706 50 0 GCAARO COc1ccccc1CNC(=O)CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095374619 211229031 /nfs/dbraw/zinc/22/90/31/211229031.db2.gz NPEWWJIPMYEPKJ-OAQYLSRUSA-N 1 0 388.512 0.940 50 0 GCAARO CN1CC[C@@]2(CN(C(=O)CCn3nnc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000095370745 211226829 /nfs/dbraw/zinc/22/68/29/211226829.db2.gz JHFXRVIFZRCVPO-HXUWFJFHSA-N 1 0 384.484 0.977 50 0 GCAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091933032 211210292 /nfs/dbraw/zinc/21/02/92/211210292.db2.gz GJWXLFAVAYYNPH-HUUCEWRRSA-N 1 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COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000091575477 211197168 /nfs/dbraw/zinc/19/71/68/211197168.db2.gz PTADALVGZLUDPN-OAHLLOKOSA-N 1 0 389.500 0.600 50 0 GCAARO CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2C1 ZINC000091859695 211207225 /nfs/dbraw/zinc/20/72/25/211207225.db2.gz PXXICLOAEQNJGO-MRXNPFEDSA-N 1 0 377.470 0.365 50 0 GCAARO CC1(C)CN(C(=O)C(=O)Nc2ccccc2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091351150 211189817 /nfs/dbraw/zinc/18/98/17/211189817.db2.gz NZKFIOMABSKFDF-FQEVSTJZSA-N 1 0 375.469 0.947 50 0 GCAARO CC[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000089943323 211187726 /nfs/dbraw/zinc/18/77/26/211187726.db2.gz JRLRLRDLGXDFAC-AWEZNQCLSA-N 1 0 381.502 0.790 50 0 GCAARO CC(C)Cc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])[nH]c(=O)n1 ZINC000091256084 211187404 /nfs/dbraw/zinc/18/74/04/211187404.db2.gz AFJBFWVMMTVXJU-CVEARBPZSA-N 1 0 378.473 0.712 50 0 GCAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082098619 211160321 /nfs/dbraw/zinc/16/03/21/211160321.db2.gz IANQVGNEQNMDMA-MRXNPFEDSA-N 1 0 387.546 0.761 50 0 GCAARO O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000082166898 211163550 /nfs/dbraw/zinc/16/35/50/211163550.db2.gz NASZSEQUPGENQY-LBPRGKRZSA-N 1 0 382.432 0.315 50 0 GCAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CC[NH+](C)C)[C@@H]4C2=O)c1 ZINC000077515710 211135873 /nfs/dbraw/zinc/13/58/73/211135873.db2.gz MSGXJYKWCNGJAS-VWNVYAMZSA-N 1 0 399.491 0.997 50 0 GCAARO Cc1cccc2ncc(C(=O)N3CCOC[C@](O)(C[NH+]4CCCC4)C3)c(=O)n12 ZINC000077440046 211135371 /nfs/dbraw/zinc/13/53/71/211135371.db2.gz GHWLTUVWCYJNCI-FQEVSTJZSA-N 1 0 386.452 0.302 50 0 GCAARO COc1ccc(S(=O)(=O)NCCNc2nc3c(c(=O)[nH]2)CC[NH2+]C3)cc1 ZINC000077436523 211134918 /nfs/dbraw/zinc/13/49/18/211134918.db2.gz GYGHPXIYEPXCIB-UHFFFAOYSA-N 1 0 379.442 0.227 50 0 GCAARO O[C@]1(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)C[NH2+]CCOC1 ZINC000077454988 211134373 /nfs/dbraw/zinc/13/43/73/211134373.db2.gz MRWWZISTBQPRGU-SFHVURJKSA-N 1 0 375.498 0.678 50 0 GCAARO Cc1cn2cc(CNC(=O)c3ccc(CN4C[C@@H]5C[C@H]4C[NH2+]5)[nH]c3=O)nc2s1 ZINC000077385565 211132646 /nfs/dbraw/zinc/13/26/46/211132646.db2.gz NHKCNOZIBDDLKO-ZFWWWQNUSA-N 1 0 398.492 0.869 50 0 GCAARO Cn1c(=O)cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n(C)c1=O ZINC000072480988 211124802 /nfs/dbraw/zinc/12/48/02/211124802.db2.gz GTZYYMDUOVJLBM-UHFFFAOYSA-N 1 0 386.496 0.811 50 0 GCAARO O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000072171416 211080480 /nfs/dbraw/zinc/08/04/80/211080480.db2.gz BIFXBEWTXLEGLA-MRXNPFEDSA-N 1 0 386.456 0.677 50 0 GCAARO Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000071759989 211057628 /nfs/dbraw/zinc/05/76/28/211057628.db2.gz YMEGYRGCVIUYBD-OAHLLOKOSA-N 1 0 376.505 0.413 50 0 GCAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1)N1CCCC1 ZINC000071752072 211055623 /nfs/dbraw/zinc/05/56/23/211055623.db2.gz HBNXDEAFPHWWJP-HNNXBMFYSA-N 1 0 389.500 0.362 50 0 GCAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)NCc3cccc(C)c3)nn2)C[NH2+]1 ZINC000067894699 211029797 /nfs/dbraw/zinc/02/97/97/211029797.db2.gz MEQMDFUOYALZIF-SJORKVTESA-N 1 0 385.472 0.625 50 0 GCAARO CS(=O)(=O)CC[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067840292 211025753 /nfs/dbraw/zinc/02/57/53/211025753.db2.gz HWNNGTGBPFRLBV-INIZCTEOSA-N 1 0 376.425 0.453 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(Cl)cc3)nn2)C[NH2+]1 ZINC000067841823 211024675 /nfs/dbraw/zinc/02/46/75/211024675.db2.gz AAPLTTXKKISWQB-OCCSQVGLSA-N 1 0 398.876 0.059 50 0 GCAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CCN3CCOC3=O)C2=O)c1 ZINC000067820208 211022350 /nfs/dbraw/zinc/02/23/50/211022350.db2.gz CZAHRAJQLZMZRS-LJQANCHMSA-N 1 0 377.441 0.591 50 0 GCAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCC(=O)N(C)C)C2=O)c1 ZINC000067641920 211013429 /nfs/dbraw/zinc/01/34/29/211013429.db2.gz YWJFVUBLTTZIMR-LJQANCHMSA-N 1 0 381.448 0.756 50 0 GCAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000065403605 210991858 /nfs/dbraw/zinc/99/18/58/210991858.db2.gz XSOWOIONOBAAHJ-KRWDZBQOSA-N 1 0 388.468 0.827 50 0 GCAARO Cc1ccccc1CN1CCN(CC(=O)NCCC[NH+]2CCCC2)C(=O)C1=O ZINC000064888759 210952465 /nfs/dbraw/zinc/95/24/65/210952465.db2.gz WHVZWKFCELVUFG-UHFFFAOYSA-N 1 0 386.496 0.768 50 0 GCAARO c1cc(C[NH2+]CCN2CCOCC2)n(-c2nnc(N3CCOCC3)s2)c1 ZINC000020942911 210370625 /nfs/dbraw/zinc/37/06/25/210370625.db2.gz FURQGGDAQQPGAE-UHFFFAOYSA-N 1 0 378.502 0.587 50 0 GCAARO CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000020860527 210364549 /nfs/dbraw/zinc/36/45/49/210364549.db2.gz GPMYOCKNOGFOMJ-KRWDZBQOSA-N 1 0 380.533 0.546 50 0 GCAARO Cc1nonc1OCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000020451373 210336184 /nfs/dbraw/zinc/33/61/84/210336184.db2.gz COIAABKVKCAADX-QGZVFWFLSA-N 1 0 392.456 0.619 50 0 GCAARO CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CC[NH+](C)CC3)ccc21 ZINC000020181947 210322218 /nfs/dbraw/zinc/32/22/18/210322218.db2.gz QINKDIQECRSDEO-UHFFFAOYSA-N 1 0 380.514 0.511 50 0 GCAARO C[NH+](C)CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)C2=NNC(=O)CC2)s1 ZINC000019809893 210297996 /nfs/dbraw/zinc/29/79/96/210297996.db2.gz JYPFASZHLPIECI-ZDUSSCGKSA-N 1 0 391.497 0.969 50 0 GCAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000010339418 221101570 /nfs/dbraw/zinc/10/15/70/221101570.db2.gz ZVOXQIRMBPOFEV-JKSUJKDBSA-N 1 0 391.424 0.742 50 0 GCAARO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])cc2S1(=O)=O ZINC000408519253 533341370 /nfs/dbraw/zinc/34/13/70/533341370.db2.gz GKZACWTVQSCARX-DOMZBBRYSA-N 1 0 395.481 0.677 50 0 GCAARO COCCNC(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1CCC([NH3+])CC1)CO2 ZINC000071759784 136166128 /nfs/dbraw/zinc/16/61/28/136166128.db2.gz ATJJGZHEVQBIFM-INIZCTEOSA-N 1 0 390.484 0.600 50 0 GCAARO Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ncnc5nc[nH]c54)CC3)C2)o1 ZINC000072407867 136169520 /nfs/dbraw/zinc/16/95/20/136169520.db2.gz XPIBZSPXOIOWDG-HOTGVXAUSA-N 1 0 383.456 0.622 50 0 GCAARO Cc1cc2n(n1)CCN(c1ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n1)C2 ZINC000072419322 136169740 /nfs/dbraw/zinc/16/97/40/136169740.db2.gz MANOJKZYHOOAJA-ZDUSSCGKSA-N 1 0 376.486 0.872 50 0 GCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1CO ZINC000091434989 136176520 /nfs/dbraw/zinc/17/65/20/136176520.db2.gz NYZFDKAUVZJWPB-QZTJIDSGSA-N 1 0 391.512 0.518 50 0 GCAARO CC(C)NC(=O)CN1CCN(c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000222776289 136205021 /nfs/dbraw/zinc/20/50/21/136205021.db2.gz SSCBLQDYSBNCIT-UHFFFAOYSA-N 1 0 375.521 0.394 50 0 GCAARO NS(=O)(=O)c1cc(F)cc(C(=O)N2CCC[C@H]([NH3+])C2)c1Br ZINC000158115517 527399579 /nfs/dbraw/zinc/39/95/79/527399579.db2.gz PVJUYCCGGBYDGA-QMMMGPOBSA-N 1 0 380.239 0.799 50 0 GCAARO CC1CCN(C(=O)c2cc(NS(C)(=O)=O)cnc2N2CC[NH2+]CC2)CC1 ZINC000065025155 535273761 /nfs/dbraw/zinc/27/37/61/535273761.db2.gz YAANGJCXSADUOA-UHFFFAOYSA-N 1 0 381.502 0.735 50 0 GCAARO CC1=C(C(=O)NCCC[NH+]2CCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731368 570223450 /nfs/dbraw/zinc/22/34/50/570223450.db2.gz ALNYRDHKGLYJFK-UHFFFAOYSA-N 1 0 399.513 0.256 50 0 biogenic GCAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(N)=O ZINC000019871837 570226612 /nfs/dbraw/zinc/22/66/12/570226612.db2.gz DPLRVQNARLTEMJ-UHFFFAOYSA-N 1 0 393.465 0.539 50 0 GCAARO COCC[N@H+](C)CCCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C ZINC000048291049 570229266 /nfs/dbraw/zinc/22/92/66/570229266.db2.gz SMJZNRFQKCBOBW-SFHVURJKSA-N 1 0 390.488 0.858 50 0 GCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000001266393 570260197 /nfs/dbraw/zinc/26/01/97/570260197.db2.gz VCRZPTXLMNJGDI-UHFFFAOYSA-N 1 0 386.431 0.753 50 0 GCAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000049546982 570269290 /nfs/dbraw/zinc/26/92/90/570269290.db2.gz YEPOBHBOSIJBHP-UHFFFAOYSA-N 1 0 378.521 0.848 50 0 GCAARO Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](CCO)C2 ZINC000071890367 570275103 /nfs/dbraw/zinc/27/51/03/570275103.db2.gz POHDPGFMELOIFD-INIZCTEOSA-N 1 0 385.468 0.835 50 0 GCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn21 ZINC000015861444 570278271 /nfs/dbraw/zinc/27/82/71/570278271.db2.gz XPAMTDWSYUTKJT-LBPRGKRZSA-N 1 0 392.485 0.202 50 0 GCAARO CCc1nc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)no1 ZINC000214960560 570282975 /nfs/dbraw/zinc/28/29/75/570282975.db2.gz OZVWOSCAKJAESY-GFCCVEGCSA-N 1 0 379.442 0.202 50 0 GCAARO CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCC[NH2+]CC3)c2)CCO1 ZINC000215407077 570288622 /nfs/dbraw/zinc/28/86/22/570288622.db2.gz WOCAGPOMMJSBCM-INIZCTEOSA-N 1 0 381.498 0.922 50 0 GCAARO COc1ccc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C(N)=O ZINC000575605902 570329155 /nfs/dbraw/zinc/32/91/55/570329155.db2.gz HWIRKEIRLDVQSY-CQSZACIVSA-N 1 0 397.497 0.573 50 0 GCAARO CCCCCn1c(CN2CC[NH+](CC)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022930743 570336854 /nfs/dbraw/zinc/33/68/54/570336854.db2.gz DDSWRFHPNOFMKQ-UHFFFAOYSA-N 1 0 376.505 0.761 50 0 GCAARO C[NH+]1CCN(c2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cn2)CC1 ZINC000023318610 570354669 /nfs/dbraw/zinc/35/46/69/570354669.db2.gz WEOHKXFEDMDFEV-UHFFFAOYSA-N 1 0 393.451 0.255 50 0 GCAARO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 ZINC000004615308 570388042 /nfs/dbraw/zinc/38/80/42/570388042.db2.gz MNPMZAUGCVRPFT-QGZVFWFLSA-N 1 0 398.463 0.638 50 0 GCAARO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC000220642595 570389815 /nfs/dbraw/zinc/38/98/15/570389815.db2.gz QZQDFMQKRYDCFV-MRXNPFEDSA-N 1 0 377.489 0.469 50 0 GCAARO CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC000220642660 570389866 /nfs/dbraw/zinc/38/98/66/570389866.db2.gz QZQDFMQKRYDCFV-INIZCTEOSA-N 1 0 377.489 0.469 50 0 GCAARO CN(C)c1ccc(C2=[NH+]O[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 ZINC000005207760 570506482 /nfs/dbraw/zinc/50/64/82/570506482.db2.gz XHKYLNRIGZARHQ-AWEZNQCLSA-N 1 0 382.424 0.693 50 0 GCAARO CCn1c2sc3c(c2c(=O)n(CC(=O)NCC[NH3+])c1=O)CC(C)(C)OC3 ZINC000006760124 570574853 /nfs/dbraw/zinc/57/48/53/570574853.db2.gz LYBYJOIRSXSUTD-UHFFFAOYSA-N 1 0 380.470 0.171 50 0 GCAARO COC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)CCC3 ZINC000006759672 570575595 /nfs/dbraw/zinc/57/55/95/570575595.db2.gz LUHUOIAIXGWMSN-UHFFFAOYSA-N 1 0 377.466 0.982 50 0 GCAARO COCC[NH+]1CCC(CN(C)C(=O)Cn2nnnc2CN2CCCC2)CC1 ZINC000011878349 570590450 /nfs/dbraw/zinc/59/04/50/570590450.db2.gz TZHSXKVLJPPOSQ-UHFFFAOYSA-N 1 0 379.509 0.086 50 0 GCAARO Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)n1 ZINC000040286313 570597527 /nfs/dbraw/zinc/59/75/27/570597527.db2.gz YQVKUKIRNSBXPG-UHFFFAOYSA-N 1 0 393.451 0.790 50 0 GCAARO COc1cccc(OC)c1OC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000169678846 570599260 /nfs/dbraw/zinc/59/92/60/570599260.db2.gz WEYYEPFPEUQDMI-IRXDYDNUSA-N 1 0 396.484 0.477 50 0 GCAARO COCCn1c(CN2CCC3(CC2)CC(=O)NC(=O)C3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244719017 570695139 /nfs/dbraw/zinc/69/51/39/570695139.db2.gz LVEBJAFSRPVQMQ-OKILXGFUSA-N 1 0 390.488 0.148 50 0 GCAARO COCCn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000055558867 570696714 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ACTKLAWCIHAYNJ-JSGCOSHPSA-N 1 0 379.394 0.537 50 0 GCAARO CS(=O)(=O)N1CCC(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000225570996 530263295 /nfs/dbraw/zinc/26/32/95/530263295.db2.gz UGPBSBDRESRBRG-MRXNPFEDSA-N 1 0 389.587 0.992 50 0 GCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3F)CN2C1=O ZINC000014755427 210126476 /nfs/dbraw/zinc/12/64/76/210126476.db2.gz XDSIARMDSYEACR-CQDKDKBSSA-N 1 0 377.420 0.544 50 0 GCAARO Cc1c[nH]c(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299775236 212034538 /nfs/dbraw/zinc/03/45/38/212034538.db2.gz CMBCMPAISDSLET-QGZVFWFLSA-N 1 0 389.500 0.797 50 0 GCAARO COc1ccc(CCN2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1OC ZINC000004173653 204030166 /nfs/dbraw/zinc/03/01/66/204030166.db2.gz IVVKOPQUIRHWIM-OAHLLOKOSA-N 1 0 389.452 0.571 50 0 GCAARO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000005026246 204103501 /nfs/dbraw/zinc/10/35/01/204103501.db2.gz KRNKDDCKQPPFNJ-UHFFFAOYSA-N 1 0 382.486 0.247 50 0 GCAARO C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006840415 204214863 /nfs/dbraw/zinc/21/48/63/204214863.db2.gz WALBIVLZDGPIAT-ZBFHGGJFSA-N 1 0 397.497 0.803 50 0 GCAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000006739188 204198061 /nfs/dbraw/zinc/19/80/61/204198061.db2.gz KSYPGYNNFCHWGI-GJZGRUSLSA-N 1 0 396.538 0.967 50 0 GCAARO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)C2)cnn1C ZINC000006921752 204225643 /nfs/dbraw/zinc/22/56/43/204225643.db2.gz WQHJUKPIGZTLOJ-JKSUJKDBSA-N 1 0 395.529 0.436 50 0 GCAARO CCN1CCN(c2nnc(-n3cccc3C(=O)NCC[NH+](C)C)s2)CC1 ZINC000007006091 204229966 /nfs/dbraw/zinc/22/99/66/204229966.db2.gz XYIVJZVORLRMQX-UHFFFAOYSA-N 1 0 377.518 0.762 50 0 GCAARO C[NH+](C)CCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000008599119 204281233 /nfs/dbraw/zinc/28/12/33/204281233.db2.gz VJFYUDOCYMMSLZ-UHFFFAOYSA-N 1 0 384.484 0.248 50 0 GCAARO Cn1c2nc(N3CCC[NH2+]CC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000008701224 204282945 /nfs/dbraw/zinc/28/29/45/204282945.db2.gz GWGJFRLRJPHMSY-UHFFFAOYSA-N 1 0 386.431 0.421 50 0 GCAARO Cn1c2nc(N3CCC[NH2+]CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008701225 204283954 /nfs/dbraw/zinc/28/39/54/204283954.db2.gz IFXQQKFVRBMUSB-UHFFFAOYSA-N 1 0 386.431 0.421 50 0 GCAARO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764406 204288904 /nfs/dbraw/zinc/28/89/04/204288904.db2.gz WFEIXVGQSZGHJB-HNNXBMFYSA-N 1 0 397.479 0.957 50 0 biogenic GCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCOC ZINC000009482163 204312247 /nfs/dbraw/zinc/31/22/47/204312247.db2.gz OECMPDYPXDXKIT-CQSZACIVSA-N 1 0 376.457 0.602 50 0 GCAARO C[NH+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000010111677 204329811 /nfs/dbraw/zinc/32/98/11/204329811.db2.gz MKFNRAXLVBOTCE-UHFFFAOYSA-N 1 0 375.878 0.652 50 0 GCAARO COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCC[NH+](C)C ZINC000012004567 204368054 /nfs/dbraw/zinc/36/80/54/204368054.db2.gz DQQCIARHOIOCCN-UHFFFAOYSA-N 1 0 391.515 0.465 50 0 GCAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C ZINC000012203103 204383121 /nfs/dbraw/zinc/38/31/21/204383121.db2.gz QUERZCVOOVRWQF-QGZVFWFLSA-N 1 0 387.484 0.340 50 0 GCAARO Cc1cc(N2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000243956702 211975778 /nfs/dbraw/zinc/97/57/78/211975778.db2.gz CCHNMYLXRIDAGU-QGZVFWFLSA-N 1 0 380.514 0.548 50 0 GCAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000058177949 205167669 /nfs/dbraw/zinc/16/76/69/205167669.db2.gz UWZKUOUTHPJMSN-MRXNPFEDSA-N 1 0 381.498 0.937 50 0 GCAARO CCC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)CC1 ZINC000065210496 205219452 /nfs/dbraw/zinc/21/94/52/205219452.db2.gz ZSKVRLDUPZKVTD-UHFFFAOYSA-N 1 0 394.541 0.766 50 0 GCAARO COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]([NH3+])CO)CC1 ZINC000067589044 205250055 /nfs/dbraw/zinc/25/00/55/205250055.db2.gz ZKEXTZBSSOQYJD-HNNXBMFYSA-N 1 0 387.440 0.627 50 0 GCAARO O=C1NCCN1CC[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067654516 205252875 /nfs/dbraw/zinc/25/28/75/205252875.db2.gz LRIUKEPCWXFJPE-GOSISDBHSA-N 1 0 382.411 0.433 50 0 GCAARO COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1OC ZINC000067622067 205253349 /nfs/dbraw/zinc/25/33/49/205253349.db2.gz NMMPGIMEQBAYOD-UHFFFAOYSA-N 1 0 385.486 0.680 50 0 GCAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000067727523 205255685 /nfs/dbraw/zinc/25/56/85/205255685.db2.gz RCMNRWSGQWBJFF-ZDUSSCGKSA-N 1 0 385.476 0.677 50 0 GCAARO O=C(c1c[nH]c(=O)cn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000067788791 205260029 /nfs/dbraw/zinc/26/00/29/205260029.db2.gz GNTJALRTKICBMN-HNNXBMFYSA-N 1 0 387.484 0.709 50 0 GCAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)Nc3cc(F)ccc3F)nn2)C[NH2+]1 ZINC000067841971 205262989 /nfs/dbraw/zinc/26/29/89/205262989.db2.gz WNJCXKFTGPWJPX-FZMZJTMJSA-N 1 0 379.371 0.527 50 0 GCAARO CN(C)S(=O)(=O)CC[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067955524 205268734 /nfs/dbraw/zinc/26/87/34/205268734.db2.gz BQKRAEGXWPRGDO-GOSISDBHSA-N 1 0 389.562 0.791 50 0 GCAARO O=c1[nH]cnc2c1CC[N@H+](C[C@]1(O)CCCN(CCc3ccccc3)C1=O)CC2 ZINC000067965389 205270870 /nfs/dbraw/zinc/27/08/70/205270870.db2.gz DNBQVHBJRINKQA-JOCHJYFZSA-N 1 0 396.491 0.767 50 0 GCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)C1(N)CC[NH2+]CC1 ZINC000071419188 205283155 /nfs/dbraw/zinc/28/31/55/205283155.db2.gz ZCYYDRHIZIJLHA-UHFFFAOYSA-N 1 0 387.484 0.686 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)Cc3cc(C)no3)CC2)C1 ZINC000071419238 205284273 /nfs/dbraw/zinc/28/42/73/205284273.db2.gz NMOURDUKSPBQLS-MRXNPFEDSA-N 1 0 392.500 0.991 50 0 GCAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N(CCO)CCO ZINC000071589629 205285001 /nfs/dbraw/zinc/28/50/01/205285001.db2.gz XPXDLPNBOZDHMW-LJQANCHMSA-N 1 0 390.528 0.571 50 0 GCAARO CCn1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1 ZINC000071552282 205286124 /nfs/dbraw/zinc/28/61/24/205286124.db2.gz AOHVQAHOBNPCMN-MRXNPFEDSA-N 1 0 391.516 0.982 50 0 GCAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071721335 205286529 /nfs/dbraw/zinc/28/65/29/205286529.db2.gz ZBBSSZPWTUVIDU-INIZCTEOSA-N 1 0 389.500 0.596 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3nonc3C)CC2)C1 ZINC000071730566 205288114 /nfs/dbraw/zinc/28/81/14/205288114.db2.gz VKFGWILGGTXQKI-CQSZACIVSA-N 1 0 379.461 0.457 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC000071746959 205289566 /nfs/dbraw/zinc/28/95/66/205289566.db2.gz CSEUZDWQDZOYHE-AWEZNQCLSA-N 1 0 391.472 0.261 50 0 GCAARO CN(C)C(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750693 205291853 /nfs/dbraw/zinc/29/18/53/205291853.db2.gz OERHKYVAHHRIGD-KRWDZBQOSA-N 1 0 387.528 0.962 50 0 GCAARO O=C(c1cnccn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071764125 205295805 /nfs/dbraw/zinc/29/58/05/205295805.db2.gz DTPDWFDXVGDDOA-MRXNPFEDSA-N 1 0 387.484 0.652 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cc(C)n[nH]3)CC2)C1 ZINC000071775521 205297978 /nfs/dbraw/zinc/29/79/78/205297978.db2.gz PRJMRYIKVLRSDJ-OAHLLOKOSA-N 1 0 377.489 0.797 50 0 GCAARO COc1cc2c(cc1CNC(=O)c1cn(C[C@@H]3CCC[NH2+]C3)nn1)OCCO2 ZINC000071278585 205279011 /nfs/dbraw/zinc/27/90/11/205279011.db2.gz CVAQRGMMNNPLEF-CYBMUJFWSA-N 1 0 387.440 0.988 50 0 GCAARO O=C(C[N@H+]1CCC[C@](O)(CNC(=O)c2ccccc2)CC1)N1CCOCC1 ZINC000072150907 205311969 /nfs/dbraw/zinc/31/19/69/205311969.db2.gz SSLWRPDLQISUGM-HXUWFJFHSA-N 1 0 375.469 0.492 50 0 GCAARO COCc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2CC2CCCCC2)[nH]n1 ZINC000072165712 205315423 /nfs/dbraw/zinc/31/54/23/205315423.db2.gz ADXBIIQXXORVNU-KRWDZBQOSA-N 1 0 377.489 0.943 50 0 GCAARO C[N@H+](CCc1ccccc1)Cc1cc2n(n1)CCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC000072473656 205353749 /nfs/dbraw/zinc/35/37/49/205353749.db2.gz CBQNZNSPTXLSTJ-GOSISDBHSA-N 1 0 382.468 0.581 50 0 GCAARO CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)C[NH3+])CC2 ZINC000077337837 205358518 /nfs/dbraw/zinc/35/85/18/205358518.db2.gz FTKJKCYYYHHJBD-UHFFFAOYSA-N 1 0 380.495 0.807 50 0 GCAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cnn(C)c3)CC2)OC1=O ZINC000077420260 205361773 /nfs/dbraw/zinc/36/17/73/205361773.db2.gz GOOOMQGIJFFLNP-UHFFFAOYSA-N 1 0 379.461 0.425 50 0 GCAARO O=C([C@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CCSCC1 ZINC000077516621 205363569 /nfs/dbraw/zinc/36/35/69/205363569.db2.gz AMXJVXOFFAXAJG-CLWJZODNSA-N 1 0 391.537 0.830 50 0 GCAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000005340078 205767260 /nfs/dbraw/zinc/76/72/60/205767260.db2.gz VQSSPXKXFSJTNL-UHFFFAOYSA-N 1 0 388.877 0.496 50 0 GCAARO CN(C)S(=O)(=O)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000096024234 206115033 /nfs/dbraw/zinc/11/50/33/206115033.db2.gz FGWNLKDBUSXYSY-UHFFFAOYSA-N 1 0 379.486 0.388 50 0 GCAARO COCCn1c(CN2CCCN(c3ncccn3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240936903 206127125 /nfs/dbraw/zinc/12/71/25/206127125.db2.gz SFQIYJXWQFTWNF-IYBDPMFKSA-N 1 0 386.504 0.632 50 0 GCAARO C[C@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)[NH+]1CCC(C)CC1 ZINC000299755950 206184130 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GCAARO Cn1c(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2C)nnc1C1CC[NH2+]CC1 ZINC000534655538 570915637 /nfs/dbraw/zinc/91/56/37/570915637.db2.gz KMMOTIVMWFDQHK-UHFFFAOYSA-N 1 0 376.446 0.119 50 0 GCAARO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000237595776 570944502 /nfs/dbraw/zinc/94/45/02/570944502.db2.gz JULCHHIKYZEZQG-DLBZAZTESA-N 1 0 394.541 0.785 50 0 GCAARO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3([NH3+])CCCCC3)cn2)CC1 ZINC000649333645 570948165 /nfs/dbraw/zinc/94/81/65/570948165.db2.gz KCUWBIPUUQHFJF-UHFFFAOYSA-N 1 0 381.502 0.763 50 0 GCAARO COCCCNc1nc2nonc2nc1N(C)C[C@H]1CC[N@H+](CCOC)C1 ZINC000012208274 570963061 /nfs/dbraw/zinc/96/30/61/570963061.db2.gz WXONIJUYILUHKE-CYBMUJFWSA-N 1 0 379.465 0.866 50 0 GCAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccccn2)c2cccnc2)CC1 ZINC000023203166 570967752 /nfs/dbraw/zinc/96/77/52/570967752.db2.gz JJALZZAFDVNZIN-IBGZPJMESA-N 1 0 396.495 0.588 50 0 GCAARO Cn1ncc2c1ncn(CC(=O)NC1CC[NH+](Cc3ccncc3)CC1)c2=O ZINC000193981827 570985898 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50 0 GCAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@H]3CN(S(C)(=O)=O)CCO3)cc(=O)c2c1 ZINC000091550441 571014351 /nfs/dbraw/zinc/01/43/51/571014351.db2.gz XMZNILIQPRFICO-HNNXBMFYSA-N 1 0 379.482 0.895 50 0 GCAARO C[NH+]1CCC(Cc2nc(Cn3ccnc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000091595847 571017415 /nfs/dbraw/zinc/01/74/15/571017415.db2.gz ZAERTVDKZPFBQT-OAHLLOKOSA-N 1 0 378.502 0.767 50 0 GCAARO C[N@@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@]12CCNC(=O)CC2 ZINC000091745439 571028411 /nfs/dbraw/zinc/02/84/11/571028411.db2.gz RHHLYLPBZMWWTA-FQEVSTJZSA-N 1 0 376.476 0.771 50 0 GCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)COCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091757661 571029794 /nfs/dbraw/zinc/02/97/94/571029794.db2.gz BIYJRPYGMNMZKG-WOJBJXKFSA-N 1 0 375.513 0.908 50 0 GCAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)CCCn3cncn3)C2)CCC1=O ZINC000091781273 571030724 /nfs/dbraw/zinc/03/07/24/571030724.db2.gz ROUZUYMDXUJDPJ-IBGZPJMESA-N 1 0 376.505 0.851 50 0 GCAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)[C@@H]3CSC(C)(C)C(=O)N3)cc2C1 ZINC000091849111 571033393 /nfs/dbraw/zinc/03/33/93/571033393.db2.gz HAYCJMGAUXPBQK-HNNXBMFYSA-N 1 0 379.530 0.981 50 0 GCAARO Cc1cn2c(nc(C[N@@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)cc2=O)s1 ZINC000091997122 571039608 /nfs/dbraw/zinc/03/96/08/571039608.db2.gz RUUNIIJVGZDRDG-GOSISDBHSA-N 1 0 376.482 0.871 50 0 GCAARO Cc1n[nH]c(CCC(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1C ZINC000092061787 571042893 /nfs/dbraw/zinc/04/28/93/571042893.db2.gz XPKJONQRWKOABO-QZTJIDSGSA-N 1 0 377.533 0.664 50 0 GCAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)Cc3ccc(CO)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092078387 571044390 /nfs/dbraw/zinc/04/43/90/571044390.db2.gz HXTBHUAEJJWLJU-WOUAJJJCSA-N 1 0 376.497 0.898 50 0 GCAARO CCc1nc(C)ccc1OCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095360899 571055259 /nfs/dbraw/zinc/05/52/59/571055259.db2.gz MTJMDEQXOTYGOK-QZTJIDSGSA-N 1 0 390.528 0.646 50 0 GCAARO O=C(NCCn1cccn1)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC000095367390 571059253 /nfs/dbraw/zinc/05/92/53/571059253.db2.gz 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OAOZTEGISCJREX-OAHLLOKOSA-N 1 0 382.468 0.868 50 0 GCAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CC[NH+](C)C)[C@H]4C2=O)c1 ZINC000077515694 205363953 /nfs/dbraw/zinc/36/39/53/205363953.db2.gz MSGXJYKWCNGJAS-WEMPKCCASA-N 1 0 399.491 0.997 50 0 GCAARO O=C(C[C@H]1COCCN1C(=O)c1c[nH]c(=O)c(Cl)c1)NCC[NH+]1CCCC1 ZINC000072478802 205354045 /nfs/dbraw/zinc/35/40/45/205354045.db2.gz UFRSNCOPZTZSKJ-AWEZNQCLSA-N 1 0 396.875 0.471 50 0 GCAARO O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)N1CCOCC1 ZINC000077338411 205359557 /nfs/dbraw/zinc/35/95/57/205359557.db2.gz LZZXGLOLXMJWBJ-XLSPSMHOSA-N 1 0 375.469 0.113 50 0 GCAARO O=C([C@H]1CCC[NH2+]1)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 ZINC000077378632 205360306 /nfs/dbraw/zinc/36/03/06/205360306.db2.gz HVOOGRXHZQUPKJ-MRXNPFEDSA-N 1 0 379.482 0.344 50 0 GCAARO O=C(NCCc1nc2c(s1)CCC2)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077554710 205364864 /nfs/dbraw/zinc/36/48/64/205364864.db2.gz ICUIJKSXBWBAHB-UHFFFAOYSA-N 1 0 375.502 0.101 50 0 GCAARO COc1nc2c(cc1C(=O)N1CCOC[C@@](O)(C[NH+]3CCCC3)C1)CCC2 ZINC000077519657 205365804 /nfs/dbraw/zinc/36/58/04/205365804.db2.gz LMDQVTYSSLKWAN-HXUWFJFHSA-N 1 0 375.469 0.878 50 0 GCAARO O=C(NC[C@@H](O)CN1CC[NH2+]CC1)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082087540 205384791 /nfs/dbraw/zinc/38/47/91/205384791.db2.gz LYWMZPCOENGFIE-GOSISDBHSA-N 1 0 379.464 0.997 50 0 GCAARO O=C(c1cn(CC[C@H]2CCCC[NH2+]2)nn1)N1CCC(N2CCOC2=O)CC1 ZINC000082137328 205387310 /nfs/dbraw/zinc/38/73/10/205387310.db2.gz JSVUMKBVVPJAAO-CQSZACIVSA-N 1 0 376.461 0.867 50 0 GCAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2C1 ZINC000082139241 205387467 /nfs/dbraw/zinc/38/74/67/205387467.db2.gz KXXIGQFDOMHZAI-OAHLLOKOSA-N 1 0 376.461 0.349 50 0 GCAARO COc1cc2nc(C)n(CC(=O)N[C@@H]3C[NH+]4CCC3CC4)c(=O)c2cc1OC ZINC000096114033 206117673 /nfs/dbraw/zinc/11/76/73/206117673.db2.gz XIBQHCDDXYMVFT-MRXNPFEDSA-N 1 0 386.452 0.933 50 0 biogenic GCAARO CC(=O)N[C@H]1C[C@H](c2nnc(CN3CCC([NH+]4CCOCC4)CC3)n2C)C1 ZINC000244605597 206128807 /nfs/dbraw/zinc/12/88/07/206128807.db2.gz FBNGBGNHAPPNJA-WKILWMFISA-N 1 0 376.505 0.494 50 0 GCAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cncnc1 ZINC000299772636 206187969 /nfs/dbraw/zinc/18/79/69/206187969.db2.gz ARNNMFUMRLZWJF-SFHVURJKSA-N 1 0 387.484 0.556 50 0 GCAARO NS(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)c1 ZINC000299772580 206188589 /nfs/dbraw/zinc/18/85/89/206188589.db2.gz CHXURHGPBDZRGN-OAHLLOKOSA-N 1 0 382.486 0.645 50 0 GCAARO CN(C)C(=O)c1cccc(NC(=O)N2CCN(C[C@H](O)C[NH+](C)C)CC2)c1 ZINC000299782779 206189980 /nfs/dbraw/zinc/18/99/80/206189980.db2.gz UGTFNXKOTJNYPQ-QGZVFWFLSA-N 1 0 377.489 0.460 50 0 GCAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc(S(N)(=O)=O)c1Br ZINC000125454652 206208916 /nfs/dbraw/zinc/20/89/16/206208916.db2.gz UXXSXROAHRROKX-ZETCQYMHSA-N 1 0 380.239 0.670 50 0 GCAARO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000133844390 206209996 /nfs/dbraw/zinc/20/99/96/206209996.db2.gz FYXTZUDZMWYQPD-PBHICJAKSA-N 1 0 385.468 0.334 50 0 GCAARO O=C(c1cccc(S(=O)(=O)NCCn2cccn2)c1)N1CCC[NH2+]CC1 ZINC000097717130 211370740 /nfs/dbraw/zinc/37/07/40/211370740.db2.gz BXBNRJCVCQLUCB-UHFFFAOYSA-N 1 0 377.470 0.297 50 0 GCAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)C1 ZINC000097259285 211362056 /nfs/dbraw/zinc/36/20/56/211362056.db2.gz FEZRQHABBOZJIZ-HNNXBMFYSA-N 1 0 379.482 0.803 50 0 GCAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000097173255 211361941 /nfs/dbraw/zinc/36/19/41/211361941.db2.gz ONIZJGSTUPPTCB-KKUMJFAQSA-N 1 0 385.461 0.574 50 0 GCAARO CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@H]2COCC[N@H+](C)C2)c1 ZINC000096163214 211314865 /nfs/dbraw/zinc/31/48/65/211314865.db2.gz OKIBSNPBOHASCG-CYBMUJFWSA-N 1 0 385.490 0.605 50 0 GCAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2cc(C)cn2)C[N@@H+]1C1CCOCC1 ZINC000096153793 211311488 /nfs/dbraw/zinc/31/14/88/211311488.db2.gz JWTKRSOCWXLRAG-RDJZCZTQSA-N 1 0 377.489 0.456 50 0 GCAARO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)C2(N3CCOCC3)CCCC2)CC1 ZINC000095941426 211283505 /nfs/dbraw/zinc/28/35/05/211283505.db2.gz BFYQNYQOCLQKDL-MRXNPFEDSA-N 1 0 380.533 0.737 50 0 GCAARO COc1ccc([C@@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@H]2[NH+](C)C)cc1 ZINC000095531520 211276249 /nfs/dbraw/zinc/27/62/49/211276249.db2.gz WZZCNLCCBFEQQH-DLBZAZTESA-N 1 0 386.452 0.492 50 0 GCAARO C[N@@H+]1CC[C@@H](NC(=O)CCCn2nnnc2CN2CCc3ccccc3C2)C1 ZINC000095528984 211275166 /nfs/dbraw/zinc/27/51/66/211275166.db2.gz KJVWYAQYKYTDPC-GOSISDBHSA-N 1 0 383.500 0.832 50 0 GCAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN3CCN(C)C(=O)C3)c2)CC1 ZINC000095523683 211270892 /nfs/dbraw/zinc/27/08/92/211270892.db2.gz IXFGFSSCLKAPQB-IBGZPJMESA-N 1 0 390.528 0.338 50 0 GCAARO CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524894 211270414 /nfs/dbraw/zinc/27/04/14/211270414.db2.gz KPKZOTPGUKBVDJ-INIZCTEOSA-N 1 0 389.500 0.743 50 0 GCAARO COc1ccc(NC(C)=O)cc1NC(=O)NCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000095513371 211262748 /nfs/dbraw/zinc/26/27/48/211262748.db2.gz JPNSWKZBONDFRV-ZDUSSCGKSA-N 1 0 377.445 0.972 50 0 GCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2CO)CC1 ZINC000095391289 211237909 /nfs/dbraw/zinc/23/79/09/211237909.db2.gz LMQRJBUUJFLKSG-IAGOWNOFSA-N 1 0 385.512 0.810 50 0 GCAARO O=C(NCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000095389368 211237248 /nfs/dbraw/zinc/23/72/48/211237248.db2.gz VJXQBXKXRCUJER-MRXNPFEDSA-N 1 0 381.498 0.970 50 0 GCAARO CCc1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)c2)on1 ZINC000095359022 211223019 /nfs/dbraw/zinc/22/30/19/211223019.db2.gz DWPHHLWLXDMUPA-CQSZACIVSA-N 1 0 378.454 0.807 50 0 GCAARO CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)CC2 ZINC000095384775 211234916 /nfs/dbraw/zinc/23/49/16/211234916.db2.gz KYPMIHLNYLDWGL-INIZCTEOSA-N 1 0 378.517 0.681 50 0 GCAARO COCCN1CC[C@]2(CN(CCC(=O)N3CCCC3)CC[N@@H+]2C)CCC1=O ZINC000095380733 211232301 /nfs/dbraw/zinc/23/23/01/211232301.db2.gz XHBPDRPTJUZHBX-FQEVSTJZSA-N 1 0 380.533 0.644 50 0 GCAARO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095373717 211229997 /nfs/dbraw/zinc/22/99/97/211229997.db2.gz ARRKRFBKJHFVIO-WMLDXEAASA-N 1 0 382.464 0.628 50 0 GCAARO CC[N@H+](C)C[C@@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)C[C@@H]1CO ZINC000091974251 211212583 /nfs/dbraw/zinc/21/25/83/211212583.db2.gz MEKDAXJQDKONHU-HUUCEWRRSA-N 1 0 381.502 0.125 50 0 GCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2O)C[C@@H]1CO ZINC000092027964 211215588 /nfs/dbraw/zinc/21/55/88/211215588.db2.gz RKWQTFALXLJPGD-CHWSQXEVSA-N 1 0 377.416 0.684 50 0 GCAARO Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000092037409 211213769 /nfs/dbraw/zinc/21/37/69/211213769.db2.gz YJPKMCWXKWMDLZ-CVEARBPZSA-N 1 0 377.489 0.160 50 0 GCAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1[nH]nc3c1CCCC3)CC2 ZINC000091645634 211201888 /nfs/dbraw/zinc/20/18/88/211201888.db2.gz XJBFBAPHVODSIF-MSOLQXFVSA-N 1 0 376.501 0.938 50 0 GCAARO CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(CO)cc3)C[C@H]2CCCO)CC1 ZINC000091644342 211199595 /nfs/dbraw/zinc/19/95/95/211199595.db2.gz FJKLUPRQPBSYAT-RTWAWAEBSA-N 1 0 389.540 0.958 50 0 GCAARO CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077453828 211133789 /nfs/dbraw/zinc/13/37/89/211133789.db2.gz OZOINTGHUQVWKC-SFHVURJKSA-N 1 0 397.527 0.782 50 0 GCAARO O=C(NC[C@H]1COCCO1)c1ccc(C[NH+]2CCC3(CCO3)CC2)[nH]c1=O ZINC000077426189 211132265 /nfs/dbraw/zinc/13/22/65/211132265.db2.gz FSQKIFDBNWCEEV-HNNXBMFYSA-N 1 0 377.441 0.275 50 0 GCAARO COC[C@@](C)(CCO)[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000075106348 211126969 /nfs/dbraw/zinc/12/69/69/211126969.db2.gz WTXNKCGAJGJTDC-NVXWUHKLSA-N 1 0 376.519 0.322 50 0 GCAARO CC[NH+]1CCN(CCN2CC3(CCN(Cc4ncc[nH]4)CC3)OC2=O)CC1 ZINC000072477264 211125067 /nfs/dbraw/zinc/12/50/67/211125067.db2.gz OLSVSYUBLNDNBN-UHFFFAOYSA-N 1 0 376.505 0.834 50 0 GCAARO CS(=O)(=O)c1cnc(N2Cc3cnn(CCO)c3C2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072426718 211117498 /nfs/dbraw/zinc/11/74/98/211117498.db2.gz KMPWBHLHOMFNQV-GFCCVEGCSA-N 1 0 392.485 0.056 50 0 GCAARO O=C(c1ccc(NCc2cc(=O)[nH]cn2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000071764023 211059973 /nfs/dbraw/zinc/05/99/73/211059973.db2.gz NWPKOAZPFWWWNS-UHFFFAOYSA-N 1 0 398.467 0.714 50 0 GCAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC000071746551 211054321 /nfs/dbraw/zinc/05/43/21/211054321.db2.gz SBHUVDPSNNGQRN-CQSZACIVSA-N 1 0 397.483 0.720 50 0 GCAARO Cc1c[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071747902 211052776 /nfs/dbraw/zinc/05/27/76/211052776.db2.gz IRDINDBYEGRXFF-MRXNPFEDSA-N 1 0 389.500 0.894 50 0 GCAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071721336 211052412 /nfs/dbraw/zinc/05/24/12/211052412.db2.gz ZBBSSZPWTUVIDU-MRXNPFEDSA-N 1 0 389.500 0.596 50 0 GCAARO CC(=O)NCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071615053 211052196 /nfs/dbraw/zinc/05/21/96/211052196.db2.gz ILYAMPJXXCLDAO-SFHVURJKSA-N 1 0 379.549 0.073 50 0 GCAARO 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389.500 0.640 50 0 GCAARO COCC(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255050 570588651 /nfs/dbraw/zinc/58/86/51/570588651.db2.gz SIZPTAIFXLCGNC-FQEVSTJZSA-N 1 0 394.560 0.938 50 0 GCAARO COCC(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255051 570588710 /nfs/dbraw/zinc/58/87/10/570588710.db2.gz SIZPTAIFXLCGNC-HXUWFJFHSA-N 1 0 394.560 0.938 50 0 GCAARO Cc1cn2nc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2c(=O)[nH]1 ZINC000206634934 570632600 /nfs/dbraw/zinc/63/26/00/570632600.db2.gz FLOMSKFGUSERKW-UHFFFAOYSA-N 1 0 386.456 0.277 50 0 GCAARO CCOC(=O)CNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012315254 570640745 /nfs/dbraw/zinc/64/07/45/570640745.db2.gz VBSNQJIZUKOHFG-CQSZACIVSA-N 1 0 380.489 0.714 50 0 GCAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cn1nnnc1CN1CCCC1 ZINC000012386152 570650910 /nfs/dbraw/zinc/65/09/10/570650910.db2.gz DUKHHBQCCPHLJJ-GOSISDBHSA-N 1 0 383.500 0.784 50 0 GCAARO Cc1ccccc1C(=O)N(CC[NH+](C)C)CCS(=O)(=O)N1CCNCC1 ZINC000046140803 570651048 /nfs/dbraw/zinc/65/10/48/570651048.db2.gz OAQCXTQVBPBNHG-UHFFFAOYSA-N 1 0 382.530 0.234 50 0 GCAARO OCC(CO)(CO)[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421989 570673237 /nfs/dbraw/zinc/67/32/37/570673237.db2.gz JNTURZSSRWZGQN-ZDUSSCGKSA-N 1 0 382.888 0.840 50 0 GCAARO COc1cccc(CN2CCN(Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C)CC2=O)c1 ZINC000244811552 570696757 /nfs/dbraw/zinc/69/67/57/570696757.db2.gz SGSGBLBBIWLCNC-WKILWMFISA-N 1 0 384.484 0.873 50 0 GCAARO CNC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1 ZINC000058279068 570724534 /nfs/dbraw/zinc/72/45/34/570724534.db2.gz VOJPROZFPDEYBA-UHFFFAOYSA-N 1 0 399.513 0.940 50 0 GCAARO O=C(NCC1(N2CCOCC2)CCCC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065501687 570771239 /nfs/dbraw/zinc/77/12/39/570771239.db2.gz AJILMGNGZFXPLO-MRXNPFEDSA-N 1 0 376.505 0.653 50 0 GCAARO CCn1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c(C)n1 ZINC000014539990 570849190 /nfs/dbraw/zinc/84/91/90/570849190.db2.gz 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C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@H]1C[NH3+] ZINC000366329245 570945697 /nfs/dbraw/zinc/94/56/97/570945697.db2.gz MLFHSMOQVLFZKZ-WWGRRREGSA-N 1 0 394.497 0.273 50 0 GCAARO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@H]1C[NH3+] ZINC000366329244 570945932 /nfs/dbraw/zinc/94/59/32/570945932.db2.gz MLFHSMOQVLFZKZ-IOASZLSFSA-N 1 0 394.497 0.273 50 0 GCAARO CCc1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 ZINC000091254910 571001704 /nfs/dbraw/zinc/00/17/04/571001704.db2.gz OZEWFJYKXKRKOD-HXUWFJFHSA-N 1 0 377.485 0.873 50 0 GCAARO O=C(CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000045944332 571005033 /nfs/dbraw/zinc/00/50/33/571005033.db2.gz LUAQDPLZJHCXMO-INIZCTEOSA-N 1 0 381.498 0.678 50 0 GCAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045944337 571005100 /nfs/dbraw/zinc/00/51/00/571005100.db2.gz RDJXAPCHRTXIQD-KRWDZBQOSA-N 1 0 395.525 0.987 50 0 GCAARO CCc1ccc(S(=O)(=O)N(CCOC)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944492 571005464 /nfs/dbraw/zinc/00/54/64/571005464.db2.gz MZYLPKIUGWLHOJ-UHFFFAOYSA-N 1 0 383.514 0.708 50 0 GCAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000045944776 571005685 /nfs/dbraw/zinc/00/56/85/571005685.db2.gz JQHBOJUFCUISQX-UHFFFAOYSA-N 1 0 399.513 0.544 50 0 GCAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2nc(N)nc3c2CCCC3)C[C@@H]1CO ZINC000091475250 571010430 /nfs/dbraw/zinc/01/04/30/571010430.db2.gz SSBUDHORRNKZJH-HUUCEWRRSA-N 1 0 390.532 0.112 50 0 GCAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@@H]3CN(S(C)(=O)=O)CCO3)cc(=O)c2c1 ZINC000091550440 571013853 /nfs/dbraw/zinc/01/38/53/571013853.db2.gz XMZNILIQPRFICO-OAHLLOKOSA-N 1 0 379.482 0.895 50 0 GCAARO Cc1nc(N(C)C)ncc1C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091574232 571014930 /nfs/dbraw/zinc/01/49/30/571014930.db2.gz PRDKBXALNAGPFL-AEFFLSMTSA-N 1 0 391.516 0.786 50 0 GCAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H]1CO ZINC000091594057 571016528 /nfs/dbraw/zinc/01/65/28/571016528.db2.gz HFXNDLZHJUBOEK-QZTJIDSGSA-N 1 0 389.496 0.808 50 0 GCAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)N2CCCC2)CC1 ZINC000091655868 571023022 /nfs/dbraw/zinc/02/30/22/571023022.db2.gz DFFREFGEYORYEH-UHFFFAOYSA-N 1 0 375.521 0.958 50 0 GCAARO CC(C)Cc1cc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000092099516 571044892 /nfs/dbraw/zinc/04/48/92/571044892.db2.gz BZCFNPAMAQAVFE-HUUCEWRRSA-N 1 0 378.473 0.574 50 0 GCAARO Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCC[NH2+]CC3)c2)cn1 ZINC000095357593 571052665 /nfs/dbraw/zinc/05/26/65/571052665.db2.gz FPVHMFZIZJYSTR-UHFFFAOYSA-N 1 0 377.470 0.334 50 0 GCAARO CN1CC[C@]2(CN(C(=O)CCn3nnc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000095370744 571060740 /nfs/dbraw/zinc/06/07/40/571060740.db2.gz JHFXRVIFZRCVPO-FQEVSTJZSA-N 1 0 384.484 0.977 50 0 GCAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC000095500546 571076163 /nfs/dbraw/zinc/07/61/63/571076163.db2.gz DMDNUZNZRXOPEZ-HNNXBMFYSA-N 1 0 375.473 0.353 50 0 GCAARO CCN(C[C@@H]1CCCO1)C(=O)Cn1ncc(N2CCC[N@H+](C)CC2)cc1=O ZINC000095523115 571088105 /nfs/dbraw/zinc/08/81/05/571088105.db2.gz PZFGOKBRTXGMFV-KRWDZBQOSA-N 1 0 377.489 0.413 50 0 GCAARO CN1CC[C@@]2(CN(C(=O)c3cnc4ccccn4c3=O)CC[N@@H+]2C)CCC1=O ZINC000095523539 571089263 /nfs/dbraw/zinc/08/92/63/571089263.db2.gz KDOHAXHSHBLZHR-HXUWFJFHSA-N 1 0 383.452 0.463 50 0 GCAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCn3cnnc3)C2)cc1 ZINC000095529787 571092387 /nfs/dbraw/zinc/09/23/87/571092387.db2.gz BEZOHDJMRXICMJ-OAHLLOKOSA-N 1 0 379.486 0.977 50 0 GCAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C[N@@H+]1C1CCCC1 ZINC000095526644 1192395856 /nfs/dbraw/zinc/39/58/56/1192395856.db2.gz YRJJHPQFPOUVRA-CJNGLKHVSA-N 1 0 375.473 0.754 50 0 GCAARO C[N@@H+]1CC[C@H]2OCCN(c3ncnc4c3ncn4CC3(O)CCOCC3)[C@@H]2C1 ZINC000888097166 1192446242 /nfs/dbraw/zinc/44/62/42/1192446242.db2.gz CUEUPSCUOTYRMS-HUUCEWRRSA-N 1 0 388.472 0.277 50 0 GCAARO C[N@@H+]1CC[C@@H]2OCCN(c3ncnc4c3ncn4CC3(O)CCOCC3)[C@H]2C1 ZINC000888097165 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ZINC000071776638 205297487 /nfs/dbraw/zinc/29/74/87/205297487.db2.gz LJWWBTXFASJZNV-HNNXBMFYSA-N 1 0 387.484 0.709 50 0 GCAARO CCN1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2cc(C)n(CC(=O)NC)n2)CC1 ZINC000072137409 205308482 /nfs/dbraw/zinc/30/84/82/205308482.db2.gz XOXDPVZJGGXXOG-CVEARBPZSA-N 1 0 376.505 0.272 50 0 GCAARO CCOc1ccc(NC(=O)CC(=O)N2CCO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC000072143899 205310382 /nfs/dbraw/zinc/31/03/82/205310382.db2.gz QHDWEWIQEZTBBT-IBGZPJMESA-N 1 0 377.441 0.631 50 0 GCAARO Nc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2CC2CCCCC2)n1 ZINC000072149531 205311044 /nfs/dbraw/zinc/31/10/44/205311044.db2.gz NDNBLXSXCSQNNO-AWEZNQCLSA-N 1 0 390.488 0.194 50 0 GCAARO NC(=O)COc1cccc(CN2CC[NH2+][C@@H](C(=O)NCc3ccccn3)C2)c1 ZINC000072143022 205311071 /nfs/dbraw/zinc/31/10/71/205311071.db2.gz OYDYVGAZOPIHAN-GOSISDBHSA-N 1 0 383.452 0.036 50 0 GCAARO O=C(Cn1cncn1)N[C@H]1CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000072157474 205313112 /nfs/dbraw/zinc/31/31/12/205313112.db2.gz ADZRCEPGNJCFDS-MSOLQXFVSA-N 1 0 382.468 0.820 50 0 GCAARO NC(=O)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072173915 205317806 /nfs/dbraw/zinc/31/78/06/205317806.db2.gz GQBBTKIEBHWWOA-IBGZPJMESA-N 1 0 394.475 0.611 50 0 GCAARO Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC000072430279 205350986 /nfs/dbraw/zinc/35/09/86/205350986.db2.gz PVQVJNYLRCKABK-IBGZPJMESA-N 1 0 376.505 0.567 50 0 GCAARO CN(Cc1cnc(N)nc1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072480893 205354783 /nfs/dbraw/zinc/35/47/83/205354783.db2.gz DBDSKXYHVQIRIT-GFCCVEGCSA-N 1 0 377.474 0.356 50 0 GCAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CC[C@@H](O)C4)[nH]c3=O)nc2s1 ZINC000077357210 205360221 /nfs/dbraw/zinc/36/02/21/205360221.db2.gz YTPPSUXRMCRBOW-CQSZACIVSA-N 1 0 387.465 0.889 50 0 GCAARO CC(C)C[N@H+](C)CCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)OC1=O ZINC000077471230 205363735 /nfs/dbraw/zinc/36/37/35/205363735.db2.gz QFWFQCDSNXDJDW-UHFFFAOYSA-N 1 0 380.489 0.653 50 0 GCAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)OC1=O ZINC000077520015 205365911 /nfs/dbraw/zinc/36/59/11/205365911.db2.gz DVHJUZCZCWBVEK-UHFFFAOYSA-N 1 0 379.461 0.723 50 0 GCAARO O=C(c1cn(CC[C@@H]2CCCC[NH2+]2)nn1)N1CCC(N2CCOC2=O)CC1 ZINC000082137327 205387526 /nfs/dbraw/zinc/38/75/26/205387526.db2.gz JSVUMKBVVPJAAO-AWEZNQCLSA-N 1 0 376.461 0.867 50 0 GCAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2C1 ZINC000082139242 205387666 /nfs/dbraw/zinc/38/76/66/205387666.db2.gz KXXIGQFDOMHZAI-HNNXBMFYSA-N 1 0 376.461 0.349 50 0 GCAARO COCC[N@H+](C)C[C@@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@@H]1CO ZINC000092076975 205434405 /nfs/dbraw/zinc/43/44/05/205434405.db2.gz QLCGIKCCJOJMLI-IAGOWNOFSA-N 1 0 391.516 0.726 50 0 GCAARO COc1cc2nc(C)n(CC(=O)N[C@H]3C[NH+]4CCC3CC4)c(=O)c2cc1OC ZINC000096114034 206117814 /nfs/dbraw/zinc/11/78/14/206117814.db2.gz XIBQHCDDXYMVFT-INIZCTEOSA-N 1 0 386.452 0.933 50 0 biogenic GCAARO COCCn1c(CN2CCC3(CC(=O)N(C)C3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244899855 206133564 /nfs/dbraw/zinc/13/35/64/206133564.db2.gz ZRNAAHNDPLHMFF-GASCZTMLSA-N 1 0 376.505 0.574 50 0 GCAARO Cc1c[nH]c(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299775231 206187801 /nfs/dbraw/zinc/18/78/01/206187801.db2.gz CMBCMPAISDSLET-KRWDZBQOSA-N 1 0 389.500 0.797 50 0 GCAARO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000133844576 206210795 /nfs/dbraw/zinc/21/07/95/206210795.db2.gz FYXTZUDZMWYQPD-YOEHRIQHSA-N 1 0 385.468 0.334 50 0 GCAARO COC1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000097759163 211371990 /nfs/dbraw/zinc/37/19/90/211371990.db2.gz CSFKANUNFVSHJJ-HNNXBMFYSA-N 1 0 381.498 0.968 50 0 GCAARO Cn1cc(CNS(=O)(=O)c2cccc(C(=O)N3CCC[NH2+]CC3)c2)cn1 ZINC000097711627 211370572 /nfs/dbraw/zinc/37/05/72/211370572.db2.gz KFSSPQYHQNKBLV-UHFFFAOYSA-N 1 0 377.470 0.334 50 0 GCAARO O=C(NC[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)NCCn2cccn2)c1 ZINC000097604248 211367441 /nfs/dbraw/zinc/36/74/41/211367441.db2.gz QXPULAMVWUHSDA-OAHLLOKOSA-N 1 0 377.470 0.343 50 0 GCAARO O=C(CCn1cnnn1)N1CCC2(CC[NH+](C3CCCC3)CC2)[C@H](CO)C1 ZINC000097474962 211364905 /nfs/dbraw/zinc/36/49/05/211364905.db2.gz SGOVKWKXYXZCJA-INIZCTEOSA-N 1 0 376.505 0.929 50 0 GCAARO O=C(CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1 ZINC000095977339 211291454 /nfs/dbraw/zinc/29/14/54/211291454.db2.gz YYNIPTZFPZOZCN-MRXNPFEDSA-N 1 0 397.566 0.874 50 0 GCAARO COc1cccc(NC(=O)CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000095962962 211289591 /nfs/dbraw/zinc/28/95/91/211289591.db2.gz OPXZKPBIFZNCBS-INIZCTEOSA-N 1 0 381.498 0.875 50 0 GCAARO COc1cccc(NC(=O)CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000095962961 211289021 /nfs/dbraw/zinc/28/90/21/211289021.db2.gz OPXZKPBIFZNCBS-MRXNPFEDSA-N 1 0 381.498 0.875 50 0 GCAARO Cc1ccc([C@@H]2CN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C[C@H]2[NH+](C)C)cc1 ZINC000095528950 211274877 /nfs/dbraw/zinc/27/48/77/211274877.db2.gz HVMCFHILSDUMGM-UONOGXRCSA-N 1 0 378.454 0.090 50 0 GCAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]([NH3+])c1ccccc1)CC2 ZINC000095527747 211272759 /nfs/dbraw/zinc/27/27/59/211272759.db2.gz TVCRMCNSTCVTFI-SFHVURJKSA-N 1 0 397.479 0.959 50 0 GCAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnc[nH]c2=O)CC1 ZINC000095518846 211264371 /nfs/dbraw/zinc/26/43/71/211264371.db2.gz PSFPCRZBIOIPHR-INIZCTEOSA-N 1 0 378.473 0.750 50 0 GCAARO CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000095512060 211262168 /nfs/dbraw/zinc/26/21/68/211262168.db2.gz PWXSDYFEFKDZOE-UHFFFAOYSA-N 1 0 381.498 0.925 50 0 GCAARO COc1cc(CN2CCNC(=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095510458 211259882 /nfs/dbraw/zinc/25/98/82/211259882.db2.gz PZQJZWHOZVEFOG-QGZVFWFLSA-N 1 0 377.485 0.853 50 0 GCAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)CC2 ZINC000095503069 211254622 /nfs/dbraw/zinc/25/46/22/211254622.db2.gz VNCZUJDGCMBCMO-AWEZNQCLSA-N 1 0 381.502 0.139 50 0 GCAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(CN3CC(O)C3)cc2OC)CC1 ZINC000095499297 211252704 /nfs/dbraw/zinc/25/27/04/211252704.db2.gz KAZWTZLEFCHGBN-SFHVURJKSA-N 1 0 379.501 0.249 50 0 GCAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 ZINC000095387645 211234465 /nfs/dbraw/zinc/23/44/65/211234465.db2.gz SGRNHMSWPXWYRP-INIZCTEOSA-N 1 0 381.498 0.922 50 0 GCAARO COCCN1CC[C@]2(CN(C(=O)c3ccc(CO)cc3)CC[N@@H+]2C)CCC1=O ZINC000095387810 211234123 /nfs/dbraw/zinc/23/41/23/211234123.db2.gz ADCBNUREMMNEKT-NRFANRHFSA-N 1 0 389.496 0.964 50 0 GCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1CO ZINC000095385414 211233592 /nfs/dbraw/zinc/23/35/92/211233592.db2.gz IDEWODRBPCWXLJ-HZPDHXFCSA-N 1 0 377.485 0.512 50 0 GCAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]c1=O ZINC000095379721 211232450 /nfs/dbraw/zinc/23/24/50/211232450.db2.gz WQQNYKLHPCHDSU-GOEBONIOSA-N 1 0 386.427 0.949 50 0 GCAARO Cc1cnc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)c2)cn1 ZINC000095376294 211230252 /nfs/dbraw/zinc/23/02/52/211230252.db2.gz VVCNCEWKNOGVIT-CQSZACIVSA-N 1 0 375.454 0.437 50 0 GCAARO Cc1c[nH]c(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cc2)n1 ZINC000091895584 211209886 /nfs/dbraw/zinc/20/98/86/211209886.db2.gz NSIFNJDYDSLHOD-CQSZACIVSA-N 1 0 377.470 0.712 50 0 GCAARO Cc1c[nH]c(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc2)n1 ZINC000091895575 211209679 /nfs/dbraw/zinc/20/96/79/211209679.db2.gz NSIFNJDYDSLHOD-AWEZNQCLSA-N 1 0 377.470 0.712 50 0 GCAARO CN(C)C(=O)N1CCn2nc(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2C1 ZINC000091964564 211213347 /nfs/dbraw/zinc/21/33/47/211213347.db2.gz AMYAQFIGWSHIOP-GOSISDBHSA-N 1 0 382.468 0.711 50 0 GCAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)C1 ZINC000091656092 211201058 /nfs/dbraw/zinc/20/10/58/211201058.db2.gz KNHPCPJPDSMTGA-KRWDZBQOSA-N 1 0 392.504 0.496 50 0 GCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)C[C@@H]1CO ZINC000091657127 211200922 /nfs/dbraw/zinc/20/09/22/211200922.db2.gz VMUJBKNAVZEOEN-HUUCEWRRSA-N 1 0 376.432 0.820 50 0 GCAARO CCOc1ncccc1CNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091494340 211195029 /nfs/dbraw/zinc/19/50/29/211195029.db2.gz AECJPCZJJHMXJY-CVEARBPZSA-N 1 0 376.457 0.181 50 0 GCAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C[C@@H]1CO ZINC000091304068 211190457 /nfs/dbraw/zinc/19/04/57/211190457.db2.gz BWEQYKFVXFXRIC-ZIAGYGMSSA-N 1 0 391.443 0.926 50 0 GCAARO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000091305764 211189702 /nfs/dbraw/zinc/18/97/02/211189702.db2.gz KMDZJJNPCNGHMR-CABCVRRESA-N 1 0 379.420 0.497 50 0 GCAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1CO ZINC000091381575 211189792 /nfs/dbraw/zinc/18/97/92/211189792.db2.gz WZTKKBGVKHMZHX-HUUCEWRRSA-N 1 0 398.887 0.645 50 0 GCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCS(=O)(=O)c3ccccc3)CC[C@H]21 ZINC000077518915 211136946 /nfs/dbraw/zinc/13/69/46/211136946.db2.gz MVEWYHRHWCPZSK-FUHWJXTLSA-N 1 0 379.526 0.993 50 0 GCAARO O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 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390.527 0.727 50 0 GCAARO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cnc2n(C)c1=O ZINC000012817117 210014406 /nfs/dbraw/zinc/01/44/06/210014406.db2.gz BQAQETXKRUSPDV-INIZCTEOSA-N 1 0 393.447 0.637 50 0 GCAARO Cc1cc(C(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)n(C)n1 ZINC000299772986 212035343 /nfs/dbraw/zinc/03/53/43/212035343.db2.gz BJIWTWAWKBCHAT-KRWDZBQOSA-N 1 0 389.500 0.703 50 0 GCAARO C[NH+](C)C1(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 ZINC000006935202 204225034 /nfs/dbraw/zinc/22/50/34/204225034.db2.gz IILUSCKGWXUWMY-CQSZACIVSA-N 1 0 398.529 0.533 50 0 GCAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[NH+]4CCCC4)ncn3n2)cc1 ZINC000009727307 204322541 /nfs/dbraw/zinc/32/25/41/204322541.db2.gz IGFRWMJKBRYCOI-UHFFFAOYSA-N 1 0 396.451 0.779 50 0 GCAARO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC[NH+]2CCCC2)c(F)c1 ZINC000011839588 204355177 /nfs/dbraw/zinc/35/51/77/204355177.db2.gz QZSAKFRDRQIBJA-GOSISDBHSA-N 1 0 392.475 0.737 50 0 GCAARO Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCC[NH+](C)C 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382.428 0.131 50 0 GCAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(c3nnc4ccccn43)CC2)C1=O ZINC000067850206 205264869 /nfs/dbraw/zinc/26/48/69/205264869.db2.gz UOCVXGHIUWZRSN-HXUWFJFHSA-N 1 0 387.484 0.909 50 0 GCAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+]3CCNC(=O)CC3)C2=O)c1 ZINC000067947591 205268310 /nfs/dbraw/zinc/26/83/10/205268310.db2.gz PROBOMHVERWCGH-IBGZPJMESA-N 1 0 379.432 0.510 50 0 GCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccnc(-n3cnnc3)c2)CC1 ZINC000067982546 205270088 /nfs/dbraw/zinc/27/00/88/205270088.db2.gz ILZZCEJHMMEQMY-UHFFFAOYSA-N 1 0 378.440 0.739 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000071416400 205284257 /nfs/dbraw/zinc/28/42/57/205284257.db2.gz LWWMPQLFZBXODW-OAHLLOKOSA-N 1 0 377.489 0.929 50 0 GCAARO COC(=O)C[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 ZINC000071589781 205285196 /nfs/dbraw/zinc/28/51/96/205285196.db2.gz CSRAVBGIQLKDSW-HNNXBMFYSA-N 1 0 383.452 0.985 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc(C)nn3C)CC2)C1 ZINC000071589740 205285307 /nfs/dbraw/zinc/28/53/07/205285307.db2.gz LINJIZBXHGWXJI-INIZCTEOSA-N 1 0 391.516 0.808 50 0 GCAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1=O ZINC000071746660 205289551 /nfs/dbraw/zinc/28/95/51/205289551.db2.gz VDZFSNIKRIPVCF-INIZCTEOSA-N 1 0 386.496 0.981 50 0 GCAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC000071746550 205289987 /nfs/dbraw/zinc/28/99/87/205289987.db2.gz SBHUVDPSNNGQRN-AWEZNQCLSA-N 1 0 397.483 0.720 50 0 GCAARO CNC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071754784 205290757 /nfs/dbraw/zinc/29/07/57/205290757.db2.gz YPMMWJSMARTFKJ-GOSISDBHSA-N 1 0 387.528 0.962 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC000071752562 205291119 /nfs/dbraw/zinc/29/11/19/205291119.db2.gz IHPYZTJLBQQNBI-OAHLLOKOSA-N 1 0 390.484 0.866 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC000071759250 205293937 /nfs/dbraw/zinc/29/39/37/205293937.db2.gz SQAHIPDUZBGBJX-INIZCTEOSA-N 1 0 377.489 0.349 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000071762927 205294714 /nfs/dbraw/zinc/29/47/14/205294714.db2.gz HOLKMYJEZPCLKX-KRWDZBQOSA-N 1 0 391.516 0.739 50 0 GCAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000071763541 205295619 /nfs/dbraw/zinc/29/56/19/205295619.db2.gz IGTYMVCRROBUMN-HNNXBMFYSA-N 1 0 397.483 0.720 50 0 GCAARO O=C(NC(CO)CO)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071764737 205295832 /nfs/dbraw/zinc/29/58/32/205295832.db2.gz ZXVUHQJQIZIHBN-QGZVFWFLSA-N 1 0 376.501 0.227 50 0 GCAARO Cc1nc(C)c(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)c(=O)[nH]1 ZINC000072143820 205309981 /nfs/dbraw/zinc/30/99/81/205309981.db2.gz JCMKDMHDJNVYIY-MOPGFXCFSA-N 1 0 382.464 0.864 50 0 GCAARO Cn1nnc2cc(C(=O)N3CCC4(CC3)c3ccccc3[C@@H]([NH3+])[C@@H]4O)cnc21 ZINC000072153092 205312291 /nfs/dbraw/zinc/31/22/91/205312291.db2.gz XIWRLTALKZGXSZ-SJORKVTESA-N 1 0 378.436 0.912 50 0 GCAARO O=C(Cn1cnnn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157417 205314108 /nfs/dbraw/zinc/31/41/08/205314108.db2.gz MIOWBKSACCSGMY-GDIGMMSISA-N 1 0 382.424 0.491 50 0 GCAARO COC[C@](C)(CCO)[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000075106350 205357190 /nfs/dbraw/zinc/35/71/90/205357190.db2.gz WTXNKCGAJGJTDC-WBVHZDCISA-N 1 0 376.519 0.322 50 0 GCAARO COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C)[NH3+])C2 ZINC000077426272 205361879 /nfs/dbraw/zinc/36/18/79/205361879.db2.gz AVJPTFXTFDSDJW-XJKSGUPXSA-N 1 0 381.498 0.718 50 0 GCAARO CCC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1 ZINC000077420294 205362195 /nfs/dbraw/zinc/36/21/95/205362195.db2.gz XNVBFLVTOPAPMI-KRWDZBQOSA-N 1 0 381.498 0.720 50 0 GCAARO O=C(c1cc2c([nH]c1=O)CCCC2)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077452068 205362461 /nfs/dbraw/zinc/36/24/61/205362461.db2.gz ISEFFLXMPDAGFC-HXUWFJFHSA-N 1 0 375.469 0.553 50 0 GCAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CC[NH+](C)C)[C@H]4C2=O)c1 ZINC000077515701 205363582 /nfs/dbraw/zinc/36/35/82/205363582.db2.gz MSGXJYKWCNGJAS-OZIGNCPNSA-N 1 0 399.491 0.997 50 0 GCAARO O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077517776 205363625 /nfs/dbraw/zinc/36/36/25/205363625.db2.gz FTVMUMQDENDXHC-IBGZPJMESA-N 1 0 378.425 0.480 50 0 GCAARO C[NH2+][C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 ZINC000077524011 205365938 /nfs/dbraw/zinc/36/59/38/205365938.db2.gz AXIYBAMZXLKDNA-WMLDXEAASA-N 1 0 395.525 0.979 50 0 GCAARO O=C([C@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091351001 205411744 /nfs/dbraw/zinc/41/17/44/205411744.db2.gz JIZUILKKHPZWNO-GOSISDBHSA-N 1 0 386.496 0.844 50 0 GCAARO COc1ccc([C@@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C[C@H]2[NH+](C)C)cc1 ZINC000091426831 205413429 /nfs/dbraw/zinc/41/34/29/205413429.db2.gz BZAOUJNSWZLOQZ-DLBZAZTESA-N 1 0 386.452 0.410 50 0 GCAARO Cn1nnc2c1cccc2S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091452612 205416108 /nfs/dbraw/zinc/41/61/08/205416108.db2.gz YPQALBKBWIPIJZ-KGLIPLIRSA-N 1 0 381.502 0.682 50 0 GCAARO CC1(CO)CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000215911351 211742129 /nfs/dbraw/zinc/74/21/29/211742129.db2.gz VPCSRJMPBQBEAG-HNNXBMFYSA-N 1 0 381.498 0.561 50 0 GCAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000244594180 206128736 /nfs/dbraw/zinc/12/87/36/206128736.db2.gz DHUYEWRFWVLXPX-IYBDPMFKSA-N 1 0 389.500 0.903 50 0 GCAARO NC(=O)COc1cccc(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 ZINC000299798228 206191801 /nfs/dbraw/zinc/19/18/01/206191801.db2.gz WRCLIIRUWHCLFP-NFBUACBFSA-N 1 0 376.453 0.539 50 0 GCAARO CC[N@H+](C)CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 ZINC000097632091 211368765 /nfs/dbraw/zinc/36/87/65/211368765.db2.gz NXBOUNKSJNZMDP-INIZCTEOSA-N 1 0 383.514 0.856 50 0 GCAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000095531198 211274442 /nfs/dbraw/zinc/27/44/42/211274442.db2.gz WRGUXGHWHXIMKT-INIZCTEOSA-N 1 0 389.500 0.743 50 0 GCAARO COc1ccc(CN2CCC(O)(CO)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095502864 211254661 /nfs/dbraw/zinc/25/46/61/211254661.db2.gz SYICEDFUXOJZAB-GOSISDBHSA-N 1 0 394.512 0.850 50 0 GCAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000095501952 211254398 /nfs/dbraw/zinc/25/43/98/211254398.db2.gz PKLJKFHWSHZJIS-KRWDZBQOSA-N 1 0 378.502 0.895 50 0 GCAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095500351 211252994 /nfs/dbraw/zinc/25/29/94/211252994.db2.gz BDJNYRXDFSOPBR-ZWKOTPCHSA-N 1 0 386.496 0.578 50 0 GCAARO Cn1c2ncn(CC[NH2+][C@H](C[S@](C)=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000095462660 211244570 /nfs/dbraw/zinc/24/45/70/211244570.db2.gz BSBARUDAOFJNGK-LOKFHWFJSA-N 1 0 389.481 0.143 50 0 GCAARO CN(CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)S(C)(=O)=O ZINC000095353560 211222321 /nfs/dbraw/zinc/22/23/21/211222321.db2.gz DNWCBAPODGNXEW-DOTOQJQBSA-N 1 0 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1200051137 /nfs/dbraw/zinc/05/11/37/1200051137.db2.gz TWRGBLGZXRQJLL-QOSBUDKSSA-N 1 0 379.464 0.078 50 0 GCAARO O=C1CCCN1CCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000012473234 1200190550 /nfs/dbraw/zinc/19/05/50/1200190550.db2.gz NZZVEHGJOXOOMQ-LJQANCHMSA-N 1 0 391.512 0.861 50 0 GCAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)N1CCOCC1 ZINC000008769202 1200263608 /nfs/dbraw/zinc/26/36/08/1200263608.db2.gz JWBWKOIWIMBFPA-UHFFFAOYSA-N 1 0 386.452 0.432 50 0 GCAARO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000009047615 1200310533 /nfs/dbraw/zinc/31/05/33/1200310533.db2.gz CYLBUCLBOCYBSY-UHFFFAOYSA-N 1 0 396.469 0.483 50 0 GCAARO Cc1cc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nc(N)[nH+]1 ZINC000426396325 1201157772 /nfs/dbraw/zinc/15/77/72/1201157772.db2.gz AQNFJIGODFHFFF-AWEZNQCLSA-N 1 0 386.504 0.836 50 0 GCAARO Cc1c[nH+]ccc1NCCNC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000827968255 1201711821 /nfs/dbraw/zinc/71/18/21/1201711821.db2.gz IGLXXDUXTYKTBX-UHFFFAOYSA-N 1 0 398.463 0.891 50 0 GCAARO O=C(NCc1noc(-c2cccs2)n1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000828222618 1201715961 /nfs/dbraw/zinc/71/59/61/1201715961.db2.gz FRDJQURBKJVBQZ-UHFFFAOYSA-N 1 0 388.457 0.225 50 0 GCAARO COCCn1ncc(N2CC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1=O ZINC000581792661 1201898214 /nfs/dbraw/zinc/89/82/14/1201898214.db2.gz OGQNMQRJKYSBKF-MRXNPFEDSA-N 1 0 377.489 0.318 50 0 GCAARO Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4CC[NH2+][C@@H]4C3)c2)no1 ZINC000215412622 222572823 /nfs/dbraw/zinc/57/28/23/222572823.db2.gz LMEVKNAVKLQLST-WMLDXEAASA-N 1 0 390.465 0.895 50 0 GCAARO NS(=O)(=O)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426409278 231216165 /nfs/dbraw/zinc/21/61/65/231216165.db2.gz HKCMAXRPVUAFNP-MRXNPFEDSA-N 1 0 380.514 0.971 50 0 GCAARO O=C(Cc1cccnc1)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000426656855 231248765 /nfs/dbraw/zinc/24/87/65/231248765.db2.gz CZBXRJZLSAQNHB-LJQANCHMSA-N 1 0 386.496 0.985 50 0 GCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)c3onc4c3CCCC4)C[C@@H]2CO)CC1 ZINC000426674093 530053616 /nfs/dbraw/zinc/05/36/16/530053616.db2.gz LEPSHNSHYPWBAT-HZPDHXFCSA-N 1 0 376.501 0.871 50 0 GCAARO CN(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000002881080 530117128 /nfs/dbraw/zinc/11/71/28/530117128.db2.gz UEQKUHSBASOXHJ-UHFFFAOYSA-N 1 0 378.292 0.747 50 0 GCAARO O=S(=O)(c1ccc(OC[C@@H](O)C[NH2+]C2CC2)c(Cl)c1)N1CCOCC1 ZINC000004979998 530268848 /nfs/dbraw/zinc/26/88/48/530268848.db2.gz BTXDPRHXFSGNSR-ZDUSSCGKSA-N 1 0 390.889 0.853 50 0 GCAARO COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)cc1F ZINC000219535188 530496111 /nfs/dbraw/zinc/49/61/11/530496111.db2.gz SGYKWPWSWGHPRA-GDBMZVCRSA-N 1 0 376.450 0.848 50 0 GCAARO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)ccc1Cl ZINC000253430652 530802312 /nfs/dbraw/zinc/80/23/12/530802312.db2.gz RRVNWLDFVVXECM-LBPRGKRZSA-N 1 0 376.862 0.999 50 0 GCAARO CC(C)CC[NH2+][C@H]1CCc2c(c(C(=O)NCCN3CCOCC3)nn2C)C1 ZINC000014535756 207023429 /nfs/dbraw/zinc/02/34/29/207023429.db2.gz IVBBZMFNRRRYJU-INIZCTEOSA-N 1 0 377.533 0.975 50 0 GCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016034088 207071735 /nfs/dbraw/zinc/07/17/35/207071735.db2.gz XWNOOIIVMBMZTL-IRHLFGLPSA-N 1 0 384.436 0.471 50 0 GCAARO CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287896 207186351 /nfs/dbraw/zinc/18/63/51/207186351.db2.gz DJZCLDRLPOCWRU-RDJZCZTQSA-N 1 0 395.573 0.609 50 0 GCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022457071 207253802 /nfs/dbraw/zinc/25/38/02/207253802.db2.gz HMSAIGOZLMKVAN-DZXHNVRKSA-N 1 0 378.513 0.881 50 0 biogenic GCAARO Cc1ccc(Cn2c(CN3CC[NH+](C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000022939874 207267262 /nfs/dbraw/zinc/26/72/62/207267262.db2.gz VGWVGMKDVHJSAV-UHFFFAOYSA-N 1 0 396.495 0.538 50 0 GCAARO C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)CO)CC2)OC1=O ZINC000077555628 208048896 /nfs/dbraw/zinc/04/88/96/208048896.db2.gz IEEIFRZHJATIOV-UHFFFAOYSA-N 1 0 375.469 0.967 50 0 GCAARO COC[C@](C)(CCO)[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000075106353 208035324 /nfs/dbraw/zinc/03/53/24/208035324.db2.gz WTXNKCGAJGJTDC-RDJZCZTQSA-N 1 0 376.519 0.322 50 0 GCAARO O=C(NCc1ccc(-n2cccn2)cc1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077304081 208038412 /nfs/dbraw/zinc/03/84/12/208038412.db2.gz GBIGKILQQXVRJK-UHFFFAOYSA-N 1 0 380.456 0.299 50 0 GCAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC000077339405 208039365 /nfs/dbraw/zinc/03/93/65/208039365.db2.gz OKDTZSRZFFOFCL-KRWDZBQOSA-N 1 0 375.469 0.948 50 0 GCAARO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077453832 208043202 /nfs/dbraw/zinc/04/32/02/208043202.db2.gz OZOINTGHUQVWKC-GOSISDBHSA-N 1 0 397.527 0.782 50 0 GCAARO COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)CC[NH3+])CC2 ZINC000077504922 208046198 /nfs/dbraw/zinc/04/61/98/208046198.db2.gz JMBPMCSZJUUKLK-MRXNPFEDSA-N 1 0 381.498 0.720 50 0 GCAARO O=C(Cn1c(=O)oc2ccccc21)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077470485 208046321 /nfs/dbraw/zinc/04/63/21/208046321.db2.gz ACWKLAJJLRJACE-LJQANCHMSA-N 1 0 375.425 0.280 50 0 GCAARO CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2C1 ZINC000082148103 208081474 /nfs/dbraw/zinc/08/14/74/208081474.db2.gz QKUCUPSLTMJTSL-HNNXBMFYSA-N 1 0 381.502 0.054 50 0 GCAARO O=C(Cn1nnc(-c2ccccc2)n1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091644263 208129145 /nfs/dbraw/zinc/12/91/45/208129145.db2.gz DSFLRIPYEHTQSV-IAGOWNOFSA-N 1 0 384.484 0.893 50 0 GCAARO Cc1cc(=O)n(CC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)nc1C ZINC000091644957 208129856 /nfs/dbraw/zinc/12/98/56/208129856.db2.gz FTVFNGIGESIMBH-MSOLQXFVSA-N 1 0 392.500 0.182 50 0 GCAARO O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000091650012 208130176 /nfs/dbraw/zinc/13/01/76/208130176.db2.gz FUCJAVRJGVVICB-QZTJIDSGSA-N 1 0 389.477 0.270 50 0 GCAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 ZINC000091817545 208137521 /nfs/dbraw/zinc/13/75/21/208137521.db2.gz XDRVUKUBWPZDLE-UHFFFAOYSA-N 1 0 382.432 0.118 50 0 GCAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@@H]2CO)CC1 ZINC000091364682 208116332 /nfs/dbraw/zinc/11/63/32/208116332.db2.gz KRQSIJDFZQRYTO-HUUCEWRRSA-N 1 0 384.908 0.965 50 0 GCAARO Cc1noc(C)c1CCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091434810 208117928 /nfs/dbraw/zinc/11/79/28/208117928.db2.gz GTFMDIJOGRJCEQ-CVEARBPZSA-N 1 0 378.473 0.425 50 0 GCAARO O=C1N(CCCn2cnnn2)C(=O)C2(CC[NH2+]CC2)N1CCc1ccccc1 ZINC000095359456 208160908 /nfs/dbraw/zinc/16/09/08/208160908.db2.gz GOXVJARLKSEHBL-UHFFFAOYSA-N 1 0 383.456 0.692 50 0 GCAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c(OC)c1 ZINC000095362360 208161757 /nfs/dbraw/zinc/16/17/57/208161757.db2.gz HOLYFMKOMXEIBG-HZPDHXFCSA-N 1 0 377.485 0.632 50 0 GCAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cnn4cc(CCO)cnc34)cc2C1 ZINC000095370781 208165527 /nfs/dbraw/zinc/16/55/27/208165527.db2.gz LULSSTVJZRRYJR-UHFFFAOYSA-N 1 0 397.483 0.862 50 0 GCAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1)Cc1ccccc1 ZINC000091965996 208144308 /nfs/dbraw/zinc/14/43/08/208144308.db2.gz QHGYCXKCSRLBEM-NHCUHLMSSA-N 1 0 388.556 0.823 50 0 GCAARO Cc1nc(CN(C)C(=O)Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)cs1 ZINC000095520099 208220209 /nfs/dbraw/zinc/22/02/09/208220209.db2.gz MWBGOHKKZSUZHL-UHFFFAOYSA-N 1 0 390.513 0.809 50 0 GCAARO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CCN(C(=O)N(C)C)CC2)c1 ZINC000095526165 208225046 /nfs/dbraw/zinc/22/50/46/208225046.db2.gz KGUHMQDAMUPEBM-KRWDZBQOSA-N 1 0 394.516 0.796 50 0 GCAARO CN1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1=O ZINC000095526439 208225231 /nfs/dbraw/zinc/22/52/31/208225231.db2.gz OMCOGLLYZFWJDJ-QGZVFWFLSA-N 1 0 379.526 0.749 50 0 GCAARO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095528474 208226692 /nfs/dbraw/zinc/22/66/92/208226692.db2.gz CTKUGNSGHSVEGJ-QGZVFWFLSA-N 1 0 377.485 0.853 50 0 GCAARO Cc1c[nH]nc1C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000096180560 208282870 /nfs/dbraw/zinc/28/28/70/208282870.db2.gz RAGSHWOGXYKAIG-SJORKVTESA-N 1 0 389.500 0.509 50 0 GCAARO CNC(=O)CCc1cccc(NC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000097334295 208354263 /nfs/dbraw/zinc/35/42/63/208354263.db2.gz VVDNARFOGPVUQI-OAHLLOKOSA-N 1 0 375.473 0.684 50 0 GCAARO COc1cc(-n2cnnn2)ccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000097742633 208362244 /nfs/dbraw/zinc/36/22/44/208362244.db2.gz XEMMMPCVPSSUQO-CQSZACIVSA-N 1 0 375.433 0.639 50 0 GCAARO O=C(NCCC1CC[NH+](C2CCCC2)CC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000252483362 209031608 /nfs/dbraw/zinc/03/16/08/209031608.db2.gz DZPMJYXXJCIVFQ-MRXNPFEDSA-N 1 0 389.500 0.762 50 0 GCAARO Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000011904568 221134912 /nfs/dbraw/zinc/13/49/12/221134912.db2.gz QZIHDCQOIFEYED-UHFFFAOYSA-N 1 0 389.499 0.292 50 0 GCAARO CC(C)NC(=O)C[N@H+](C)CCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012855437 221238923 /nfs/dbraw/zinc/23/89/23/221238923.db2.gz PGSMZWYRTSAVSL-UHFFFAOYSA-N 1 0 378.429 0.952 50 0 GCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCN2C1=O ZINC000014749930 221315932 /nfs/dbraw/zinc/31/59/32/221315932.db2.gz KQXGTJIGFZEJHA-RBUKOAKNSA-N 1 0 396.495 0.513 50 0 GCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024747 221355423 /nfs/dbraw/zinc/35/54/23/221355423.db2.gz CNPXUJXMQKDTRH-XLPNERPQSA-N 1 0 375.400 0.849 50 0 GCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(Cc3cccs3)C2=O)cc1 ZINC000018105623 221387811 /nfs/dbraw/zinc/38/78/11/221387811.db2.gz MTKBTMVAWORRHN-OAHLLOKOSA-N 1 0 393.490 0.855 50 0 GCAARO CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2OCCC[NH3+])CC1 ZINC000426424400 533393564 /nfs/dbraw/zinc/39/35/64/533393564.db2.gz SRXPSHWZOQPHLK-UHFFFAOYSA-N 1 0 375.878 0.785 50 0 GCAARO CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1C[N@@H+](C)CCN21 ZINC000061957595 136156192 /nfs/dbraw/zinc/15/61/92/136156192.db2.gz JOCOYLIMCONCBM-MRXNPFEDSA-N 1 0 399.451 0.358 50 0 GCAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(CN3CCC4(CC3)OCCO4)nc2n1 ZINC000065311628 136163191 /nfs/dbraw/zinc/16/31/91/136163191.db2.gz DIPCSSQUKQYGRD-UHFFFAOYSA-N 1 0 387.488 0.523 50 0 biogenic GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nccnc3OC)CC2)C1 ZINC000071771434 136166483 /nfs/dbraw/zinc/16/64/83/136166483.db2.gz RDBUVABWMIGHDR-HNNXBMFYSA-N 1 0 377.489 0.929 50 0 GCAARO O=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)CC1 ZINC000072166276 136167315 /nfs/dbraw/zinc/16/73/15/136167315.db2.gz YSOMOTQFFLETMI-QGZVFWFLSA-N 1 0 380.452 0.969 50 0 GCAARO [NH3+]CCn1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)nn1 ZINC000077388359 136172129 /nfs/dbraw/zinc/17/21/29/136172129.db2.gz DCSJVJVXHURIRG-UHFFFAOYSA-N 1 0 378.440 0.656 50 0 GCAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(N3CCOCC3)nc1)CC2 ZINC000091473956 136176382 /nfs/dbraw/zinc/17/63/82/136176382.db2.gz LUCUMTZYWXMJDB-UHFFFAOYSA-N 1 0 397.483 0.656 50 0 GCAARO CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)n1 ZINC000095386290 136178675 /nfs/dbraw/zinc/17/86/75/136178675.db2.gz PFAIAJOSCUVEQS-WCQYABFASA-N 1 0 387.406 0.990 50 0 GCAARO O=C(CN1CCN(c2ncccn2)CC1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095498864 136179658 /nfs/dbraw/zinc/17/96/58/136179658.db2.gz FLCINYUAOZJASO-RTBURBONSA-N 1 0 384.528 0.931 50 0 GCAARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000193257190 136202428 /nfs/dbraw/zinc/20/24/28/136202428.db2.gz XZHMNQNCEVDQBK-UHFFFAOYSA-N 1 0 382.424 0.901 50 0 GCAARO COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[NH+](C)C)n2)cc1 ZINC000065117612 222102379 /nfs/dbraw/zinc/10/23/79/222102379.db2.gz YXQRYNMQSNCTJU-UHFFFAOYSA-N 1 0 382.442 0.386 50 0 GCAARO C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000058344142 222051131 /nfs/dbraw/zinc/05/11/31/222051131.db2.gz CDBHSUMJLOCELG-HNNXBMFYSA-N 1 0 392.500 0.810 50 0 GCAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NCC[NH+](C)C ZINC000064889373 222086656 /nfs/dbraw/zinc/08/66/56/222086656.db2.gz FDOBIWRBZRPNPV-UHFFFAOYSA-N 1 0 396.517 0.530 50 0 GCAARO CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)Nc3ccc(F)cc3)nn2)C[NH2+]1 ZINC000067649338 222152542 /nfs/dbraw/zinc/15/25/42/222152542.db2.gz DZJMDDYNIYAHCJ-GJZGRUSLSA-N 1 0 375.408 0.730 50 0 GCAARO [NH3+]CCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nn1 ZINC000067672927 222154626 /nfs/dbraw/zinc/15/46/26/222154626.db2.gz DKBIGQUSUDMXGR-ZDUSSCGKSA-N 1 0 382.428 0.131 50 0 GCAARO CN(C)C(=O)CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067803418 222159762 /nfs/dbraw/zinc/15/97/62/222159762.db2.gz FTHQNGWOVNRIJW-UHFFFAOYSA-N 1 0 375.473 0.519 50 0 GCAARO CC(C)[C@@H](NC(=O)C(=O)N1CCc2ccccc21)c1nnc2n1CC[NH2+]CC2 ZINC000067884386 222164886 /nfs/dbraw/zinc/16/48/86/222164886.db2.gz LYHVPIZUQQRWLT-QGZVFWFLSA-N 1 0 382.468 0.826 50 0 GCAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3ccc(Cl)cc3)nn2)C[NH2+]1 ZINC000067947588 222168900 /nfs/dbraw/zinc/16/89/00/222168900.db2.gz AAPLTTXKKISWQB-JSGCOSHPSA-N 1 0 398.876 0.059 50 0 GCAARO CC(C)[NH+]1CCC(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000072412214 222258121 /nfs/dbraw/zinc/25/81/21/222258121.db2.gz KTQILUSYJIEMJW-ZWKOTPCHSA-N 1 0 395.573 0.813 50 0 GCAARO CN1CC[C@]2(CN(C(=O)c3ccnc(-n4cnnc4)c3)CC[N@@H+]2C)CCC1=O ZINC000095497607 222331981 /nfs/dbraw/zinc/33/19/81/222331981.db2.gz USTNNQVSKQCZSG-IBGZPJMESA-N 1 0 383.456 0.431 50 0 GCAARO CC(C)C[N@H+](C)CCN1CC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)OC1=O ZINC000077379225 222278767 /nfs/dbraw/zinc/27/87/67/222278767.db2.gz GSYHEBZVHYYZKM-INIZCTEOSA-N 1 0 394.516 0.914 50 0 GCAARO COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095516458 222343865 /nfs/dbraw/zinc/34/38/65/222343865.db2.gz DZQHFDJKYABVBS-QGZVFWFLSA-N 1 0 394.516 0.971 50 0 GCAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082098618 222308583 /nfs/dbraw/zinc/30/85/83/222308583.db2.gz IANQVGNEQNMDMA-INIZCTEOSA-N 1 0 387.546 0.761 50 0 GCAARO CN1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1=O ZINC000095526440 222351003 /nfs/dbraw/zinc/35/10/03/222351003.db2.gz OMCOGLLYZFWJDJ-KRWDZBQOSA-N 1 0 379.526 0.749 50 0 GCAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C1CCN(C(=O)c3cnccn3)CC1)C2 ZINC000095530514 222353417 /nfs/dbraw/zinc/35/34/17/222353417.db2.gz FVWFDQZZAAUFLN-DOTOQJQBSA-N 1 0 387.484 0.650 50 0 GCAARO Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC000096138284 222385656 /nfs/dbraw/zinc/38/56/56/222385656.db2.gz APASXJOYGGWFRY-UHFFFAOYSA-N 1 0 378.521 0.695 50 0 GCAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)Cn2nnc3c(cnn3C)c2=O)CC1 ZINC000135464946 222527048 /nfs/dbraw/zinc/52/70/48/222527048.db2.gz AWWTUYWVRINONN-UHFFFAOYSA-N 1 0 395.467 0.568 50 0 GCAARO O=C(c1cccc(S(=O)(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)c1)N1CCOCC1 ZINC000095379864 534738383 /nfs/dbraw/zinc/73/83/83/534738383.db2.gz JQLABMSDTKRWSY-DOTOQJQBSA-N 1 0 379.482 0.532 50 0 GCAARO O=C(NCC1CC[NH+](CCO)CC1)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000426684601 534820761 /nfs/dbraw/zinc/82/07/61/534820761.db2.gz ZRDGVQRVJURKJN-KRWDZBQOSA-N 1 0 378.448 0.713 50 0 GCAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc([C@H]4CCCO4)n3)nn2)CC1 ZINC000244778600 527413853 /nfs/dbraw/zinc/41/38/53/527413853.db2.gz PTNAEKYOSBYVRB-MBNYWOFBSA-N 1 0 375.433 0.928 50 0 GCAARO C[NH+]1CCN(c2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)CC1 ZINC000067262769 536427440 /nfs/dbraw/zinc/42/74/40/536427440.db2.gz SPVXUEYFWVYOSO-UHFFFAOYSA-N 1 0 382.380 0.362 50 0 GCAARO COCC[N@H+](C)CCCNC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C ZINC000048291046 570229355 /nfs/dbraw/zinc/22/93/55/570229355.db2.gz IMNVRVSPWNSCIT-QGZVFWFLSA-N 1 0 378.452 0.989 50 0 GCAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)C1 ZINC000097259286 570240086 /nfs/dbraw/zinc/24/00/86/570240086.db2.gz FEZRQHABBOZJIZ-OAHLLOKOSA-N 1 0 379.482 0.803 50 0 GCAARO CN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1)C1CC[NH2+]CC1 ZINC000097572177 570246541 /nfs/dbraw/zinc/24/65/41/570246541.db2.gz RMWMGNDBAPZARB-AWEZNQCLSA-N 1 0 381.498 0.825 50 0 GCAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2c[nH]ccc2=O)c2ccccc2)CC1 ZINC000049550107 570269836 /nfs/dbraw/zinc/26/98/36/570269836.db2.gz YGDKWQDLFZEJNX-KRWDZBQOSA-N 1 0 383.452 0.831 50 0 GCAARO COc1ccc(NC(=O)CN2CCCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000024675883 570278593 /nfs/dbraw/zinc/27/85/93/570278593.db2.gz KSANOCZNFWMTTL-UHFFFAOYSA-N 1 0 378.473 0.738 50 0 GCAARO CCOCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000215451814 570288971 /nfs/dbraw/zinc/28/89/71/570288971.db2.gz DDAWMCJFCAYPCP-DOTOQJQBSA-N 1 0 381.498 0.778 50 0 GCAARO Cn1c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2oc1=O ZINC000105037283 570304245 /nfs/dbraw/zinc/30/42/45/570304245.db2.gz ZTPUKYXEHYIDCZ-LBPRGKRZSA-N 1 0 375.429 0.840 50 0 GCAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@H+](CC)CC2)[C@@H]3C1=O ZINC000107109493 570308736 /nfs/dbraw/zinc/30/87/36/570308736.db2.gz HETBPMMBQLMSNW-LJCCNALRSA-N 1 0 377.485 0.359 50 0 GCAARO CN(C)S(=O)(=O)N(CC(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000022934785 570338083 /nfs/dbraw/zinc/33/80/83/570338083.db2.gz ISPQLRXVKJKRSD-UHFFFAOYSA-N 1 0 397.545 0.053 50 0 GCAARO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCC1)C(=O)CO2 ZINC000035376983 570347114 /nfs/dbraw/zinc/34/71/14/570347114.db2.gz QHFKLDNWWSDRBJ-UHFFFAOYSA-N 1 0 388.468 0.716 50 0 GCAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000004964712 570383672 /nfs/dbraw/zinc/38/36/72/570383672.db2.gz GQFATWMXWRVAKI-HNNXBMFYSA-N 1 0 397.497 0.723 50 0 GCAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000269113122 570524807 /nfs/dbraw/zinc/52/48/07/570524807.db2.gz LEUKYDAGPSNWMV-KGLIPLIRSA-N 1 0 393.465 0.573 50 0 GCAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 ZINC000006739189 570561386 /nfs/dbraw/zinc/56/13/86/570561386.db2.gz KSYPGYNNFCHWGI-HUUCEWRRSA-N 1 0 396.538 0.967 50 0 GCAARO Cc1nc2c(c(C)c1CCC(=O)NCC[NH+]1CCCC1)c(=O)n(C)c(=O)n2C ZINC000006772849 570583137 /nfs/dbraw/zinc/58/31/37/570583137.db2.gz PNYTYSNTARIASI-UHFFFAOYSA-N 1 0 387.484 0.394 50 0 GCAARO O=C(CC[N@H+]1CCCn2nc([C@H](O)CO)cc2C1)NCc1ccc(F)cc1 ZINC000230578410 570668906 /nfs/dbraw/zinc/66/89/06/570668906.db2.gz WOJPRSGEMWAFBS-GOSISDBHSA-N 1 0 376.432 0.960 50 0 GCAARO COCCn1c(CN2CCN(c3ccccc3)C(=O)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244723851 570695828 /nfs/dbraw/zinc/69/58/28/570695828.db2.gz MIQYDZUPLMWKPB-IYBDPMFKSA-N 1 0 384.484 0.978 50 0 GCAARO COCCn1c(COc2cccc(-n3nnnc3C)c2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244794588 570696847 /nfs/dbraw/zinc/69/68/47/570696847.db2.gz QPNVGWLJJYWSKP-HDJSIYSDSA-N 1 0 384.444 0.992 50 0 GCAARO CC[NH+]1CCN(c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)CC1 ZINC000004370916 570724627 /nfs/dbraw/zinc/72/46/27/570724627.db2.gz RVFPPHVIRQPTAE-UHFFFAOYSA-N 1 0 396.495 0.932 50 0 GCAARO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+](C)C)cn1C ZINC000058344026 570728459 /nfs/dbraw/zinc/72/84/59/570728459.db2.gz UBYBLAOFOWPQRX-UHFFFAOYSA-N 1 0 379.486 0.385 50 0 GCAARO COCCn1c(CN2CCN(Cc3cccnc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252535875 570729795 /nfs/dbraw/zinc/72/97/95/570729795.db2.gz HBMIIYKHZJLIJL-HDICACEKSA-N 1 0 385.516 0.842 50 0 GCAARO Cc1noc(C)c1C(=O)N[C@H]1C[NH2+][C@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000067605812 570783047 /nfs/dbraw/zinc/78/30/47/570783047.db2.gz WKXPXSFLYOWIBK-DOMZBBRYSA-N 1 0 384.396 0.604 50 0 GCAARO Cc1nnsc1C(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000067604854 570783052 /nfs/dbraw/zinc/78/30/52/570783052.db2.gz BIGZSQWQERGQGZ-UHFFFAOYSA-N 1 0 389.485 0.744 50 0 GCAARO C[NH+]1CCC(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000067603778 570783341 /nfs/dbraw/zinc/78/33/41/570783341.db2.gz LWDIQMFNKFCBNE-UHFFFAOYSA-N 1 0 383.470 0.434 50 0 GCAARO Cc1c[nH]c(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)n1 ZINC000067803647 570792100 /nfs/dbraw/zinc/79/21/00/570792100.db2.gz NDVSBJJRRJVYHQ-UHFFFAOYSA-N 1 0 389.500 0.894 50 0 GCAARO CN1CCN([C@H](CNc2c(=O)c(=O)c2NCC[NH+](C)C)c2ccccc2)CC1 ZINC000101697183 570829012 /nfs/dbraw/zinc/82/90/12/570829012.db2.gz GOGLKNHVNXMXEN-QGZVFWFLSA-N 1 0 385.512 0.657 50 0 GCAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccon4)CC3)C2)CC1 ZINC000071589429 570840773 /nfs/dbraw/zinc/84/07/73/570840773.db2.gz OCBUGPRMBWHBOB-INIZCTEOSA-N 1 0 389.500 0.765 50 0 GCAARO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071614136 570841817 /nfs/dbraw/zinc/84/18/17/570841817.db2.gz DBXCZNVIBMQGEH-INIZCTEOSA-N 1 0 380.514 0.834 50 0 GCAARO CN(C)C(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071748678 570846032 /nfs/dbraw/zinc/84/60/32/570846032.db2.gz RIOLOCIPTYKMHJ-SFHVURJKSA-N 1 0 387.528 0.962 50 0 GCAARO CNC(=O)[C@@H](C)CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000071748838 570846346 /nfs/dbraw/zinc/84/63/46/570846346.db2.gz IBWAYUKGBLQQFI-HNNXBMFYSA-N 1 0 389.500 0.812 50 0 GCAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccccc2N)CC1 ZINC000240122542 570847100 /nfs/dbraw/zinc/84/71/00/570847100.db2.gz WCEWRULKCJEPAI-INIZCTEOSA-N 1 0 378.517 0.792 50 0 GCAARO CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1 ZINC000014536112 570848637 /nfs/dbraw/zinc/84/86/37/570848637.db2.gz VXHGRENIXPKFMB-ULQDDVLXSA-N 1 0 387.484 0.967 50 0 GCAARO CC(=O)N[C@H]1CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CC[NH2+]C3)C1 ZINC000071763253 570850054 /nfs/dbraw/zinc/85/00/54/570850054.db2.gz GSGSVMSVTOKNBJ-HNNXBMFYSA-N 1 0 380.452 0.603 50 0 GCAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000071763851 570850839 /nfs/dbraw/zinc/85/08/39/570850839.db2.gz LOWWOQZBFFAHBL-HNNXBMFYSA-N 1 0 388.468 0.983 50 0 GCAARO CC[C@H](C(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[nH]c2=O)C1)[NH+](C)C ZINC000071775612 570852519 /nfs/dbraw/zinc/85/25/19/570852519.db2.gz WBBCIAVEDFBUBN-MRXNPFEDSA-N 1 0 383.452 0.761 50 0 GCAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000072116007 570865888 /nfs/dbraw/zinc/86/58/88/570865888.db2.gz CVMVXEUBVPXVOQ-HOTGVXAUSA-N 1 0 388.578 0.989 50 0 GCAARO C[N@@H+]1CCCN(CC(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000072172461 570877335 /nfs/dbraw/zinc/87/73/35/570877335.db2.gz SIKSIBZJKXZDHK-GOSISDBHSA-N 1 0 376.476 0.723 50 0 GCAARO COc1cc2[nH]c(=O)c(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cc2c(OC)c1OC 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375.521 0.488 50 0 GCAARO CC[NH+](CC)[C@H]1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1 ZINC000019229244 570965162 /nfs/dbraw/zinc/96/51/62/570965162.db2.gz MQRNGIQBRZBOHH-INIZCTEOSA-N 1 0 379.509 0.228 50 0 GCAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccco2)c2cccnc2)CC1 ZINC000023203176 570967597 /nfs/dbraw/zinc/96/75/97/570967597.db2.gz POPFLOYUOAZDOQ-GOSISDBHSA-N 1 0 385.468 0.786 50 0 GCAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccnc2)CC1 ZINC000023203174 570967677 /nfs/dbraw/zinc/96/76/77/570967677.db2.gz POPFLOYUOAZDOQ-SFHVURJKSA-N 1 0 385.468 0.786 50 0 GCAARO COCCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000085534006 570976014 /nfs/dbraw/zinc/97/60/14/570976014.db2.gz VGMYCUHKKOCZAU-QGZVFWFLSA-N 1 0 381.517 0.975 50 0 GCAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1C ZINC000045944824 571005743 /nfs/dbraw/zinc/00/57/43/571005743.db2.gz AXAWEPRVGPCNCY-UHFFFAOYSA-N 1 0 383.514 0.844 50 0 GCAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1cn[nH]c1)CC2 ZINC000091425844 571007274 /nfs/dbraw/zinc/00/72/74/571007274.db2.gz WXRKUQFMSQSHTQ-UHFFFAOYSA-N 1 0 383.518 0.755 50 0 GCAARO CCc1ccc(S(=O)(=O)N(CCCOC)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974621 571007757 /nfs/dbraw/zinc/00/77/57/571007757.db2.gz XFJKZERCZNFSCU-UHFFFAOYSA-N 1 0 383.514 0.708 50 0 GCAARO CC(C)Nc1ncc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cn1 ZINC000091487106 571010923 /nfs/dbraw/zinc/01/09/23/571010923.db2.gz SLVQHSMIEGUAFT-RTBURBONSA-N 1 0 376.549 0.975 50 0 GCAARO CCc1nc(C)c(CNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000091536545 571013234 /nfs/dbraw/zinc/01/32/34/571013234.db2.gz LRYQKHDHZGNMFX-KGLIPLIRSA-N 1 0 380.514 0.715 50 0 GCAARO Cc1nc(SCC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n[nH]1 ZINC000091625050 571019121 /nfs/dbraw/zinc/01/91/21/571019121.db2.gz FNMNLILYIZZIBP-QGZVFWFLSA-N 1 0 383.518 0.527 50 0 GCAARO Cc1csc(CCCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000091643234 571020835 /nfs/dbraw/zinc/02/08/35/571020835.db2.gz ZEDMRXRBZQQGSB-CABCVRRESA-N 1 0 380.514 0.585 50 0 GCAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000091680072 571025600 /nfs/dbraw/zinc/02/56/00/571025600.db2.gz DNNQUVABRATJJA-CQSZACIVSA-N 1 0 385.468 0.609 50 0 GCAARO O=C([C@@H]1C[NH2+]C[C@H](C(=O)N2CCN(c3nccs3)CC2)C1)N1CCCC1 ZINC000091780046 571030297 /nfs/dbraw/zinc/03/02/97/571030297.db2.gz UAPXCYZAAPTADQ-LSDHHAIUSA-N 1 0 377.514 0.640 50 0 GCAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)CCCn3cncn3)C2)CCC1=O ZINC000091781278 571030761 /nfs/dbraw/zinc/03/07/61/571030761.db2.gz ROUZUYMDXUJDPJ-LJQANCHMSA-N 1 0 376.505 0.851 50 0 GCAARO O=C(NCCn1ccc2ccccc21)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091819576 571031642 /nfs/dbraw/zinc/03/16/42/571031642.db2.gz ZVLILZJRGRABHP-MSOLQXFVSA-N 1 0 384.480 0.842 50 0 GCAARO Cc1ccnn1CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091906507 571035685 /nfs/dbraw/zinc/03/56/85/571035685.db2.gz LXLJQOYJYXNLOZ-MOPGFXCFSA-N 1 0 377.533 0.819 50 0 GCAARO CC(C)NC(=O)c1ccnc(N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000092038897 571042609 /nfs/dbraw/zinc/04/26/09/571042609.db2.gz STVGKYJYSSOGTN-QZTJIDSGSA-N 1 0 375.517 0.512 50 0 GCAARO C[NH+](C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)C1 ZINC000095361392 571055630 /nfs/dbraw/zinc/05/56/30/571055630.db2.gz GERDBCCELNMJNS-SFHVURJKSA-N 1 0 381.498 0.656 50 0 GCAARO COCCN1CC[C@]2(CN(CC(=O)N3CCCCC3)CC[N@@H+]2C)CCC1=O ZINC000095362490 571056354 /nfs/dbraw/zinc/05/63/54/571056354.db2.gz WXPMCQIDTHMOQZ-FQEVSTJZSA-N 1 0 380.533 0.644 50 0 GCAARO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095375872 571064200 /nfs/dbraw/zinc/06/42/00/571064200.db2.gz QGCNZYCISOZFGM-QZTJIDSGSA-N 1 0 377.533 0.284 50 0 GCAARO CS(=O)(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC000095383677 571069201 /nfs/dbraw/zinc/06/92/01/571069201.db2.gz QPUCEIUDEFSWBU-VQIMIIECSA-N 1 0 391.493 0.746 50 0 GCAARO O=C(CN1CCNC(=O)C1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095386205 571070267 /nfs/dbraw/zinc/07/02/67/571070267.db2.gz RRNSMHUBFDGAGO-QFBILLFUSA-N 1 0 382.508 0.508 50 0 GCAARO Cc1ccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cc1C ZINC000095391638 571073122 /nfs/dbraw/zinc/07/31/22/571073122.db2.gz PWPQQTSLPPPWFZ-RTBURBONSA-N 1 0 375.513 0.997 50 0 GCAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000169781275 639628809 /nfs/dbraw/zinc/62/88/09/639628809.db2.gz NZKVYAFOKPTYJC-ZWNOBZJWSA-N 1 0 376.429 0.445 50 0 GCAARO CN(C)C(=O)NCC(=O)N[C@]1(C)CCOC2(CC[NH+](CC3CCC3)CC2)[C@H]1O ZINC001772711213 1187653103 /nfs/dbraw/zinc/65/31/03/1187653103.db2.gz ROQKCYUMWNCZPE-PKOBYXMFSA-N 1 0 396.532 0.548 50 0 GCAARO CS(=O)(=O)N1CCOc2ccc(CCC(=O)NCC[NH+]3CCCC3)cc2C1 ZINC000581800538 1187722891 /nfs/dbraw/zinc/72/28/91/1187722891.db2.gz UTKNOPAMNORZGU-UHFFFAOYSA-N 1 0 395.525 0.985 50 0 GCAARO Cc1cc(C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)[N@H+](C)C3)CC2)nn1C ZINC000257180383 1189464599 /nfs/dbraw/zinc/46/45/99/1189464599.db2.gz KRPHNWZYAGVZCG-QGZVFWFLSA-N 1 0 389.500 0.514 50 0 GCAARO COCCNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000257194169 1189492717 /nfs/dbraw/zinc/49/27/17/1189492717.db2.gz SSCDYTRIXVOJRH-MSOLQXFVSA-N 1 0 375.469 0.489 50 0 GCAARO CN1[C@@H]2CC[N@H+](Cc3cccnc3)C[C@@]2(C(=O)N2CCCC2)CCS1(=O)=O ZINC000675011561 1189663666 /nfs/dbraw/zinc/66/36/66/1189663666.db2.gz TVARJOHVRURHDM-MJGOQNOKSA-N 1 0 392.525 0.930 50 0 GCAARO CNC(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000675011308 1189667049 /nfs/dbraw/zinc/66/70/49/1189667049.db2.gz SBOICAJMHLELKE-MJGOQNOKSA-N 1 0 393.509 0.594 50 0 GCAARO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccnn1CCc1ccccc1 ZINC000622010960 1197399636 /nfs/dbraw/zinc/39/96/36/1197399636.db2.gz FGSGUXOCNCKGSE-UHFFFAOYSA-N 1 0 391.497 0.178 50 0 GCAARO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277484297 1199842027 /nfs/dbraw/zinc/84/20/27/1199842027.db2.gz JCMDUZBHZCLYIQ-ARFHVFGLSA-N 1 0 387.402 0.918 50 0 GCAARO CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000299740419 1199922129 /nfs/dbraw/zinc/92/21/29/1199922129.db2.gz ZPAPSGBKEWDPHJ-OAHLLOKOSA-N 1 0 376.413 0.690 50 0 GCAARO Cn1nc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)ccc1=O ZINC000670443511 1200050846 /nfs/dbraw/zinc/05/08/46/1200050846.db2.gz TWRGBLGZXRQJLL-RNFHDMOYSA-N 1 0 379.464 0.078 50 0 GCAARO COCCNC(=O)c1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000009530492 1200386592 /nfs/dbraw/zinc/38/65/92/1200386592.db2.gz NZUPFQRUQYZIIE-UHFFFAOYSA-N 1 0 376.457 0.603 50 0 GCAARO CN(C)C1=NC2(CC[NH+](Cc3ccc(Sc4nncn4C)o3)CC2)C(=O)N1 ZINC000823652388 1201605911 /nfs/dbraw/zinc/60/59/11/1201605911.db2.gz NRBBWIYDCXKAHL-UHFFFAOYSA-N 1 0 389.485 0.941 50 0 GCAARO C[NH+](C)CCNC(=O)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000033249815 1201631922 /nfs/dbraw/zinc/63/19/22/1201631922.db2.gz CJUFGWBDZYMSLZ-HNNXBMFYSA-N 1 0 376.482 0.222 50 0 GCAARO COC(=O)c1cn([C@H]2C[NH2+][C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 ZINC000824220723 1201639262 /nfs/dbraw/zinc/63/92/62/1201639262.db2.gz IEXHXOYOBRFVHN-CJNGLKHVSA-N 1 0 382.424 0.808 50 0 GCAARO COc1cccc2c1OC[C@@H](NC(=O)c1c(OC)cc(=O)n3c1CC[NH2+]CC3)C2 ZINC000824530766 1201644829 /nfs/dbraw/zinc/64/48/29/1201644829.db2.gz PNMJJVVSBKCAQU-AWEZNQCLSA-N 1 0 399.447 0.745 50 0 GCAARO NS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)CC1 ZINC000426497316 231229859 /nfs/dbraw/zinc/22/98/59/231229859.db2.gz VKNXEFRVEQDDQF-QGZVFWFLSA-N 1 0 395.529 0.744 50 0 GCAARO Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc(F)ccc2OCC[NH3+])C1 ZINC000426530402 231235815 /nfs/dbraw/zinc/23/58/15/231235815.db2.gz KDHUWHPHIDKMET-LBPRGKRZSA-N 1 0 377.420 0.804 50 0 GCAARO Cn1c2nc(Br)n(CCCCSC(N)=[NH2+])c2c(=O)[nH]c1=O ZINC000004730658 530222602 /nfs/dbraw/zinc/22/26/02/530222602.db2.gz WJDIJLWVFOVRQC-UHFFFAOYSA-N 1 0 375.252 0.593 50 0 GCAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1N(C)S(C)(=O)=O ZINC000005554043 530313329 /nfs/dbraw/zinc/31/33/29/530313329.db2.gz LFBNATNAAJDODX-UHFFFAOYSA-N 1 0 379.504 0.321 50 0 GCAARO COC(=O)c1sc(S(=O)(=O)NCCC[NH+](C)C)c(C(=O)OC)c1C ZINC000003282925 530937098 /nfs/dbraw/zinc/93/70/98/530937098.db2.gz LMKKHCNOZUYZJB-UHFFFAOYSA-N 1 0 378.472 0.860 50 0 GCAARO O=C1N[C@@H](CO)C(=O)N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]12 ZINC000014534285 207023443 /nfs/dbraw/zinc/02/34/43/207023443.db2.gz SOTVCFAWRXRXSU-DLBZAZTESA-N 1 0 392.525 0.238 50 0 GCAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014743334 207028272 /nfs/dbraw/zinc/02/82/72/207028272.db2.gz JUVVSAUYLQZJTG-UHFFFAOYSA-N 1 0 390.440 0.500 50 0 GCAARO O=C1N[C@H](CO)C(=O)N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]12 ZINC000014747751 207029778 /nfs/dbraw/zinc/02/97/78/207029778.db2.gz SOTVCFAWRXRXSU-IAGOWNOFSA-N 1 0 392.525 0.238 50 0 GCAARO CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000015079529 207045699 /nfs/dbraw/zinc/04/56/99/207045699.db2.gz DWLMAZZHMVEVMB-KRWDZBQOSA-N 1 0 382.574 0.873 50 0 GCAARO CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000020287892 207186651 /nfs/dbraw/zinc/18/66/51/207186651.db2.gz DJZCLDRLPOCWRU-WBVHZDCISA-N 1 0 395.573 0.609 50 0 GCAARO CC[NH+]1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000020567265 207202578 /nfs/dbraw/zinc/20/25/78/207202578.db2.gz RRRDMNFWUYMGSI-UHFFFAOYSA-N 1 0 396.495 0.804 50 0 GCAARO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCC4)C3)sc2n1 ZINC000021164918 207226708 /nfs/dbraw/zinc/22/67/08/207226708.db2.gz LZMNNAQLAOZYIG-CQSZACIVSA-N 1 0 390.513 0.888 50 0 GCAARO C[NH+]1CCN(c2ccc(CNC(=O)Cc3n[nH]c(=O)c4ccccc34)cn2)CC1 ZINC000023317984 207273657 /nfs/dbraw/zinc/27/36/57/207273657.db2.gz HMPWFKZUAIDQRX-UHFFFAOYSA-N 1 0 392.463 0.929 50 0 GCAARO CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COC)CC1 ZINC000036256308 207520790 /nfs/dbraw/zinc/52/07/90/207520790.db2.gz WPTKOVMYSXAYIK-LJQANCHMSA-N 1 0 382.549 0.794 50 0 GCAARO Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077520260 208048916 /nfs/dbraw/zinc/04/89/16/208048916.db2.gz MKCCLAHXXFRGEV-ZDUSSCGKSA-N 1 0 375.502 0.756 50 0 GCAARO O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000072409832 208017137 /nfs/dbraw/zinc/01/71/37/208017137.db2.gz NKLLYHCCNUHDAN-INIZCTEOSA-N 1 0 378.473 0.081 50 0 GCAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)Cn2nc(C)cc2N)CC1 ZINC000072428368 208021042 /nfs/dbraw/zinc/02/10/42/208021042.db2.gz ZPRLWWYNZPKEAY-CABCVRRESA-N 1 0 378.477 0.631 50 0 GCAARO O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)N1CCOCC1 ZINC000077338408 208039864 /nfs/dbraw/zinc/03/98/64/208039864.db2.gz LZZXGLOLXMJWBJ-LJCCNALRSA-N 1 0 375.469 0.113 50 0 GCAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(OC)nc3OC)CC[C@H]21 ZINC000077504235 208046271 /nfs/dbraw/zinc/04/62/71/208046271.db2.gz RJCCWJVFXGNMLM-DZGCQCFKSA-N 1 0 376.457 0.771 50 0 GCAARO O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000082166901 208082642 /nfs/dbraw/zinc/08/26/42/208082642.db2.gz NASZSEQUPGENQY-GFCCVEGCSA-N 1 0 382.432 0.315 50 0 GCAARO O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000091819988 208139705 /nfs/dbraw/zinc/13/97/05/208139705.db2.gz UDHUOCKHOOLQPX-SJORKVTESA-N 1 0 396.495 0.979 50 0 GCAARO CC(C)NC(=O)C[N@H+](C)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000089936720 208110999 /nfs/dbraw/zinc/11/09/99/208110999.db2.gz VVARBSOWZCPDOQ-GASCZTMLSA-N 1 0 390.550 0.261 50 0 GCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091351000 208116816 /nfs/dbraw/zinc/11/68/16/208116816.db2.gz JIZUILKKHPZWNO-SFHVURJKSA-N 1 0 386.496 0.844 50 0 GCAARO C[C@H](C[NH+]1CCCC1)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 ZINC000091390884 208116925 /nfs/dbraw/zinc/11/69/25/208116925.db2.gz PNHIOVQKINHGGA-CQSZACIVSA-N 1 0 383.518 0.397 50 0 GCAARO COC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1 ZINC000095355534 208159334 /nfs/dbraw/zinc/15/93/34/208159334.db2.gz QCGJHAGFFPBBBZ-AWEZNQCLSA-N 1 0 381.498 0.825 50 0 GCAARO C[NH+](C)C[C@]1(O)CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)C1 ZINC000095361391 208160505 /nfs/dbraw/zinc/16/05/05/208160505.db2.gz GERDBCCELNMJNS-GOSISDBHSA-N 1 0 381.498 0.656 50 0 GCAARO COCCN(C)CC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095364468 208164143 /nfs/dbraw/zinc/16/41/43/208164143.db2.gz MDEVSYYQRANZTC-HXUWFJFHSA-N 1 0 380.533 0.500 50 0 GCAARO CC(C)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095363614 208164450 /nfs/dbraw/zinc/16/44/50/208164450.db2.gz UFFYTOMJKNZIAM-ZWKOTPCHSA-N 1 0 385.530 0.910 50 0 GCAARO CNc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)ccn1 ZINC000095370246 208165718 /nfs/dbraw/zinc/16/57/18/208165718.db2.gz UFFTYKFALSWGBB-MSOLQXFVSA-N 1 0 375.517 0.974 50 0 GCAARO CN(C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1)C1CC[NH+](C)CC1 ZINC000095367868 208166832 /nfs/dbraw/zinc/16/68/32/208166832.db2.gz RZQUJBNJYYRTDD-HNNXBMFYSA-N 1 0 381.498 0.920 50 0 GCAARO Cn1ncc2c1nc(CN1CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C1)[nH]c2=O ZINC000095386325 208174367 /nfs/dbraw/zinc/17/43/67/208174367.db2.gz MIEOMIXDBPNLTN-ZBFHGGJFSA-N 1 0 390.488 0.364 50 0 GCAARO C[NH+]1CCC(Cc2nc(-c3cnccn3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000095507772 208207883 /nfs/dbraw/zinc/20/78/83/208207883.db2.gz SBPVTGMGDOHJFR-AWEZNQCLSA-N 1 0 376.486 0.979 50 0 GCAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(CC(N)=O)CC2)c(Cl)c1 ZINC000095501355 208201217 /nfs/dbraw/zinc/20/12/17/208201217.db2.gz FIXTYPOUMPRXEX-UHFFFAOYSA-N 1 0 382.892 0.960 50 0 GCAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC000095505873 208205897 /nfs/dbraw/zinc/20/58/97/208205897.db2.gz UPYNPBUDESIKBO-INIZCTEOSA-N 1 0 382.530 0.976 50 0 GCAARO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCN(C(N)=O)CC2)ccc1OC ZINC000095508499 208211824 /nfs/dbraw/zinc/21/18/24/208211824.db2.gz HMGOBRHESYDIMW-KRWDZBQOSA-N 1 0 394.516 0.973 50 0 GCAARO COc1cc(CN2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095512943 208212518 /nfs/dbraw/zinc/21/25/18/208212518.db2.gz UWCPNOXUXZUHMY-GOSISDBHSA-N 1 0 380.485 0.724 50 0 GCAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095521711 208220992 /nfs/dbraw/zinc/22/09/92/208220992.db2.gz SHSCZLXSFQZVTQ-HNNXBMFYSA-N 1 0 387.484 0.401 50 0 GCAARO CC[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)C1 ZINC000095525452 208222161 /nfs/dbraw/zinc/22/21/61/208222161.db2.gz LGUIMSXDDZUAEB-HNNXBMFYSA-N 1 0 389.500 0.600 50 0 GCAARO CCN(CC)C(=O)C[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000096164105 208280090 /nfs/dbraw/zinc/28/00/90/208280090.db2.gz FWQYPZZWZBTUOT-UHFFFAOYSA-N 1 0 378.521 0.695 50 0 GCAARO O=C(c1cccc(S(=O)(=O)N2CCc3n[nH]cc3C2)c1)N1CC[NH2+]CC1 ZINC000097604279 208356424 /nfs/dbraw/zinc/35/64/24/208356424.db2.gz SNQKZAILFCBDCD-UHFFFAOYSA-N 1 0 375.454 0.202 50 0 GCAARO CCOC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000215872368 208819132 /nfs/dbraw/zinc/81/91/32/208819132.db2.gz LHTBPHGQQYDBNE-OAHLLOKOSA-N 1 0 381.498 0.968 50 0 GCAARO CN(CCc1ncon1)C(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000216423201 208823382 /nfs/dbraw/zinc/82/33/82/208823382.db2.gz MLOUXZMURXJDBB-CYBMUJFWSA-N 1 0 379.442 0.106 50 0 GCAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1scc3c1OCCO3)C2 ZINC000223566585 208905161 /nfs/dbraw/zinc/90/51/61/208905161.db2.gz LRUOORBGGUOJNQ-CYBMUJFWSA-N 1 0 378.454 0.967 50 0 GCAARO Cn1nccc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299793523 209091061 /nfs/dbraw/zinc/09/10/61/209091061.db2.gz HDAQIVPMNPQSFP-KRWDZBQOSA-N 1 0 389.500 0.499 50 0 GCAARO COc1ccc(C[NH2+]CCn2c(C)cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 ZINC000006665294 220949349 /nfs/dbraw/zinc/94/93/49/220949349.db2.gz OKPQXZZWBKWCNI-UHFFFAOYSA-N 1 0 382.424 0.783 50 0 GCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 ZINC000007597595 221002675 /nfs/dbraw/zinc/00/26/75/221002675.db2.gz BCNPUNUVVZLOAF-UHFFFAOYSA-N 1 0 399.517 0.463 50 0 GCAARO CC1=NN(CC[N@H+](C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108818 221097670 /nfs/dbraw/zinc/09/76/70/221097670.db2.gz XTFZSKQSMKDYOD-UHFFFAOYSA-N 1 0 395.467 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BDTPKCZSOSWSJN-RHSMWYFYSA-N 1 0 390.415 0.038 50 0 GCAARO OC[C@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@H]1CN1CCOCC1 ZINC000091304116 136176239 /nfs/dbraw/zinc/17/62/39/136176239.db2.gz URIPVMPVXDPYPG-RTBURBONSA-N 1 0 375.517 0.839 50 0 GCAARO Cc1nn[nH]c1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299772047 209086693 /nfs/dbraw/zinc/08/66/93/209086693.db2.gz YMRWGFWKGJORGW-INIZCTEOSA-N 1 0 390.488 0.192 50 0 GCAARO Cn1c(=O)c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)nc2n(C)c1=O ZINC000025332485 221628014 /nfs/dbraw/zinc/62/80/14/221628014.db2.gz LPUBWCANBUPZCS-CQSZACIVSA-N 1 0 387.465 0.726 50 0 GCAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2c[nH]ccc2=O)c2ccccc2)CC1 ZINC000049550108 222000322 /nfs/dbraw/zinc/00/03/22/222000322.db2.gz YGDKWQDLFZEJNX-QGZVFWFLSA-N 1 0 383.452 0.831 50 0 GCAARO C[NH+]1CCN(C[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000058156257 222041167 /nfs/dbraw/zinc/04/11/67/222041167.db2.gz LAJLETNNRDFBQX-SCLBCKFNSA-N 1 0 382.411 0.340 50 0 GCAARO Cc1ccc(C(=O)N[C@H]2C[NH2+][C@H](C(=O)N(C)C3CCS(=O)(=O)CC3)C2)cc1 ZINC000065465144 222132184 /nfs/dbraw/zinc/13/21/84/222132184.db2.gz VAXREWROHJCZSV-WBVHZDCISA-N 1 0 393.509 0.491 50 0 GCAARO Cc1c[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071747901 222190204 /nfs/dbraw/zinc/19/02/04/222190204.db2.gz IRDINDBYEGRXFF-INIZCTEOSA-N 1 0 389.500 0.894 50 0 GCAARO O=C(Cn1cccn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071751012 222190211 /nfs/dbraw/zinc/19/02/11/222190211.db2.gz TZKKYRYCBBXRCW-QGZVFWFLSA-N 1 0 389.500 0.445 50 0 GCAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067674274 222153196 /nfs/dbraw/zinc/15/31/96/222153196.db2.gz VDJYXEXZRKCIQY-QGZVFWFLSA-N 1 0 385.468 0.720 50 0 GCAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)C(N)=O)C2=O)c1OC ZINC000067692942 222155343 /nfs/dbraw/zinc/15/53/43/222155343.db2.gz TZPBSSZDDSLWMH-LJQANCHMSA-N 1 0 379.457 0.411 50 0 GCAARO O=C(N[C@H]1C[NH2+][C@H](C(=O)NCc2nnc3n2CCC3)C1)c1ccc(F)c(F)c1 ZINC000067867640 222163288 /nfs/dbraw/zinc/16/32/88/222163288.db2.gz ACYTZMNJISAEKP-RISCZKNCSA-N 1 0 390.394 0.279 50 0 GCAARO COCCN1CCC[C@](O)(C[NH+]2CCN(c3nc(C)cnc3C)CC2)C1=O ZINC000067852171 222163311 /nfs/dbraw/zinc/16/33/11/222163311.db2.gz DZXFXFKWZDFGJH-IBGZPJMESA-N 1 0 377.489 0.215 50 0 GCAARO COCCN1CCC[C@@](O)(C[NH+]2CCN(c3nc4ccccc4o3)CC2)C1=O ZINC000067947939 222169665 /nfs/dbraw/zinc/16/96/65/222169665.db2.gz LDOVTMORXPVKQA-HXUWFJFHSA-N 1 0 388.468 0.950 50 0 GCAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071681228 222184745 /nfs/dbraw/zinc/18/47/45/222184745.db2.gz RDJDHULDRJQNCA-MRXNPFEDSA-N 1 0 389.500 0.596 50 0 GCAARO CCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071681499 222186757 /nfs/dbraw/zinc/18/67/57/222186757.db2.gz UDFMXKTVQIKXGI-SFHVURJKSA-N 1 0 394.560 0.890 50 0 GCAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCn4cncn4)CC3)C2)CC1 ZINC000071753434 222192460 /nfs/dbraw/zinc/19/24/60/222192460.db2.gz ZAZKVPNQVYJNBZ-GOSISDBHSA-N 1 0 389.548 0.229 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000071762926 222194775 /nfs/dbraw/zinc/19/47/75/222194775.db2.gz HOLKMYJEZPCLKX-QGZVFWFLSA-N 1 0 391.516 0.739 50 0 GCAARO Cn1cnnc1Sc1ccc(CN2CC[NH2+][C@H](C(=O)N3CCCC3)C2)o1 ZINC000072163506 222214125 /nfs/dbraw/zinc/21/41/25/222214125.db2.gz BWBCJLFUYFGYDA-AWEZNQCLSA-N 1 0 376.486 0.956 50 0 GCAARO O=S(=O)(NC[C@@]1(O)CCC[N@H+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000072166197 222215159 /nfs/dbraw/zinc/21/51/59/222215159.db2.gz KFDZWRYFJVOVCN-GOSISDBHSA-N 1 0 383.514 0.570 50 0 GCAARO CN(Cc1cc2n(n1)CCN(C(=O)[C@H]([NH3+])CO)C2)Cc1nc2ccccc2n1C ZINC000072407303 222255296 /nfs/dbraw/zinc/25/52/96/222255296.db2.gz BNSLSKMDWXYYRD-MRXNPFEDSA-N 1 0 397.483 0.064 50 0 GCAARO Cn1c(=O)[nH]cc(CC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)c1=O ZINC000072425384 222259484 /nfs/dbraw/zinc/25/94/84/222259484.db2.gz YFVKEABMBCIHFE-UHFFFAOYSA-N 1 0 384.480 0.782 50 0 GCAARO COCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000085534004 222323253 /nfs/dbraw/zinc/32/32/53/222323253.db2.gz VGMYCUHKKOCZAU-KRWDZBQOSA-N 1 0 381.517 0.975 50 0 GCAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC000095505872 222338082 /nfs/dbraw/zinc/33/80/82/222338082.db2.gz UPYNPBUDESIKBO-MRXNPFEDSA-N 1 0 382.530 0.976 50 0 GCAARO Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000095512120 222341659 /nfs/dbraw/zinc/34/16/59/222341659.db2.gz WGZBOSCWOYVYPD-SFHVURJKSA-N 1 0 378.521 0.723 50 0 GCAARO [NH3+]C[C@@H](O)CC(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077407163 222281423 /nfs/dbraw/zinc/28/14/23/222281423.db2.gz USGGCMHOOLANTK-HNNXBMFYSA-N 1 0 377.441 0.589 50 0 GCAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(CCn2cccn2)CC1 ZINC000077537478 222284262 /nfs/dbraw/zinc/28/42/62/222284262.db2.gz IDUGHUVKPKXPSF-UHFFFAOYSA-N 1 0 386.504 0.322 50 0 GCAARO CCN(C)C(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082116809 222308486 /nfs/dbraw/zinc/30/84/86/222308486.db2.gz HVDDQEDWTCNWSZ-KRWDZBQOSA-N 1 0 380.533 0.500 50 0 GCAARO O=C(NCC[NH+]1CCCC1)c1cccc(S(=O)(=O)NCc2ccon2)c1 ZINC000095519672 222346236 /nfs/dbraw/zinc/34/62/36/222346236.db2.gz GEGJYIZFYWMNQT-UHFFFAOYSA-N 1 0 378.454 0.979 50 0 GCAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@H]2CCCO)CC1 ZINC000095529360 222353522 /nfs/dbraw/zinc/35/35/22/222353522.db2.gz JRXFTZCDAWBKGI-AEFFLSMTSA-N 1 0 386.500 0.580 50 0 GCAARO O=C(NCc1ccc2ccccc2n1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096154041 222392062 /nfs/dbraw/zinc/39/20/62/222392062.db2.gz IZPBMIMNDIBCTL-IAGOWNOFSA-N 1 0 382.464 0.936 50 0 GCAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000426490342 534688749 /nfs/dbraw/zinc/68/87/49/534688749.db2.gz SAXAXIKUSQJKBP-INIZCTEOSA-N 1 0 376.505 0.449 50 0 GCAARO CC(=O)c1ccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CN(C(C)=O)C4)CC2)cc1 ZINC000096147974 534848936 /nfs/dbraw/zinc/84/89/36/534848936.db2.gz RGWITNGXRIYFEH-WIYYLYMNSA-N 1 0 384.480 0.606 50 0 GCAARO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)NCc1ccco1 ZINC000040062851 536303603 /nfs/dbraw/zinc/30/36/03/536303603.db2.gz CFXUAELIRHEMJE-UHFFFAOYSA-N 1 0 385.468 0.962 50 0 GCAARO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237342729 536330858 /nfs/dbraw/zinc/33/08/58/536330858.db2.gz MXJYKKCVFDHRMU-CABCVRRESA-N 1 0 380.514 0.761 50 0 GCAARO CN1CC[C@]2(CN(c3ncc(F)c(N4CCOCC4)n3)CC[N@@H+]2C)CCC1=O ZINC000095367095 536427207 /nfs/dbraw/zinc/42/72/07/536427207.db2.gz LOUXHBNOJYINLV-IBGZPJMESA-N 1 0 392.479 0.585 50 0 GCAARO COc1cc(N2CCC([NH2+]Cc3ccc(S(N)(=O)=O)cc3)CC2)ncn1 ZINC000095376056 536823914 /nfs/dbraw/zinc/82/39/14/536823914.db2.gz RENUPIIHZRHCNV-UHFFFAOYSA-N 1 0 377.470 0.891 50 0 GCAARO COC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097447019 570243877 /nfs/dbraw/zinc/24/38/77/570243877.db2.gz IXUCZRLBWYZXKA-MRXNPFEDSA-N 1 0 381.498 0.922 50 0 GCAARO COC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[NH2+]CC3)c2)C1 ZINC000097698653 570249697 /nfs/dbraw/zinc/24/96/97/570249697.db2.gz IJLCEGJBOTYSRR-HNNXBMFYSA-N 1 0 381.498 0.779 50 0 GCAARO O=C(c1cccc(S(=O)(=O)NCC[C@H]2CCCCO2)c1)N1CC[NH2+]CC1 ZINC000097694707 570249763 /nfs/dbraw/zinc/24/97/63/570249763.db2.gz UXLRMQMPKSDSEF-MRXNPFEDSA-N 1 0 381.498 0.970 50 0 GCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000020327525 570252337 /nfs/dbraw/zinc/25/23/37/570252337.db2.gz VNKIZKYIUSDYGQ-INIZCTEOSA-N 1 0 391.424 0.937 50 0 GCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(S(=O)(=O)N(C)CCn2cccn2)c1 ZINC000097773029 570254753 /nfs/dbraw/zinc/25/47/53/570254753.db2.gz UHRVCPJBUUMASZ-OAHLLOKOSA-N 1 0 391.497 0.638 50 0 GCAARO Cn1nc(C(N)=O)c2c1CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C2 ZINC000584903585 570273893 /nfs/dbraw/zinc/27/38/93/570273893.db2.gz JUQOBZJCJCRHPC-ZDUSSCGKSA-N 1 0 376.486 0.951 50 0 GCAARO CC[NH+](CC)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 ZINC000012233888 570275360 /nfs/dbraw/zinc/27/53/60/570275360.db2.gz UHXSBZSTEZTIHJ-UHFFFAOYSA-N 1 0 386.456 0.870 50 0 GCAARO CCc1nc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)no1 ZINC000214960609 570282879 /nfs/dbraw/zinc/28/28/79/570282879.db2.gz OZVWOSCAKJAESY-LBPRGKRZSA-N 1 0 379.442 0.202 50 0 GCAARO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215430159 570289040 /nfs/dbraw/zinc/28/90/40/570289040.db2.gz ZHDYHHKVCPVWFV-CVEARBPZSA-N 1 0 379.482 0.674 50 0 GCAARO O=C(c1c[nH]c2ncnn2c1=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000102528380 570289487 /nfs/dbraw/zinc/28/94/87/570289487.db2.gz XIIMVAQTZDKTLM-MRXNPFEDSA-N 1 0 378.436 0.733 50 0 GCAARO Cc1c(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)cnn1C ZINC000215887000 570293167 /nfs/dbraw/zinc/29/31/67/570293167.db2.gz NYUJZOLWBFFTIE-OAHLLOKOSA-N 1 0 377.470 0.299 50 0 GCAARO COCCCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000215941029 570293598 /nfs/dbraw/zinc/29/35/98/570293598.db2.gz IOVLMTPOCMAPQN-DOTOQJQBSA-N 1 0 381.498 0.778 50 0 GCAARO Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC([NH3+])CC3)c2)no1 ZINC000216083555 570295606 /nfs/dbraw/zinc/29/56/06/570295606.db2.gz FAIYFQWSFXQGRW-UHFFFAOYSA-N 1 0 379.442 0.420 50 0 GCAARO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N2CCc3n[nH]cc3C2)c1 ZINC000216174784 570296783 /nfs/dbraw/zinc/29/67/83/570296783.db2.gz DLRPIKRIVGXXTF-CQSZACIVSA-N 1 0 375.454 0.248 50 0 GCAARO [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)NCCSc2ccccc2)[C@@H]3C1=O ZINC000216426428 570301476 /nfs/dbraw/zinc/30/14/76/570301476.db2.gz SQAHXXBYLHLEPX-GGXPGOJBSA-N 1 0 375.494 0.860 50 0 GCAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 ZINC000216497223 570303083 /nfs/dbraw/zinc/30/30/83/570303083.db2.gz VVQSBPMLZDVBPS-KKUMJFAQSA-N 1 0 385.461 0.262 50 0 GCAARO Cn1c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2oc1=O ZINC000105037286 570304283 /nfs/dbraw/zinc/30/42/83/570304283.db2.gz ZTPUKYXEHYIDCZ-GFCCVEGCSA-N 1 0 375.429 0.840 50 0 GCAARO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC000218786126 570340999 /nfs/dbraw/zinc/34/09/99/570340999.db2.gz FPGJCPCPUYRKKN-QGZVFWFLSA-N 1 0 377.489 0.613 50 0 GCAARO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000237740568 570393350 /nfs/dbraw/zinc/39/33/50/570393350.db2.gz OCKDAPJFQWEXGB-INIZCTEOSA-N 1 0 380.514 0.267 50 0 GCAARO Cc1c(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)nnn1C1CC[NH2+]CC1 ZINC000237808553 570398973 /nfs/dbraw/zinc/39/89/73/570398973.db2.gz ITWJEZFDSFCQIN-ZDUSSCGKSA-N 1 0 395.410 0.959 50 0 GCAARO Cc1c(C(=O)NC[C@@H](O)COc2ccc(F)cc2)nnn1C1CC[NH2+]CC1 ZINC000237801819 570399779 /nfs/dbraw/zinc/39/97/79/570399779.db2.gz SNVZOERHHOKNMR-OAHLLOKOSA-N 1 0 377.420 0.820 50 0 GCAARO Cn1c2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2n(C)c(=O)c1=O ZINC000005026240 570399960 /nfs/dbraw/zinc/39/99/60/570399960.db2.gz WIBGZMYRLUQABQ-UHFFFAOYSA-N 1 0 394.497 0.392 50 0 GCAARO Cn1c2ccc(S(=O)(=O)NC[C@@H]3CN(C4CC4)CCO3)cc2n(C)c1=O ZINC000123648773 570417207 /nfs/dbraw/zinc/41/72/07/570417207.db2.gz DJMGAGZCQVGKPI-CYBMUJFWSA-N 1 0 380.470 0.019 50 0 GCAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCc3noc([C@@H]4CCCO4)n3)nn2)CC1 ZINC000244778601 570433414 /nfs/dbraw/zinc/43/34/14/570433414.db2.gz PTNAEKYOSBYVRB-SCRDCRAPSA-N 1 0 375.433 0.928 50 0 GCAARO COCCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836108 570559523 /nfs/dbraw/zinc/55/95/23/570559523.db2.gz SQFGIOBBKFBDDS-UHFFFAOYSA-N 1 0 395.463 0.968 50 0 GCAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000036355033 570636359 /nfs/dbraw/zinc/63/63/59/570636359.db2.gz ASHNBBDZECEYAG-UHFFFAOYSA-N 1 0 382.486 0.623 50 0 GCAARO COCCNc1nc2nonc2nc1N(C)CC1CC[NH+](CCOC)CC1 ZINC000012438493 570662966 /nfs/dbraw/zinc/66/29/66/570662966.db2.gz XCERQQYODRLOLY-UHFFFAOYSA-N 1 0 379.465 0.866 50 0 GCAARO CC1CCN(Cc2nnnn2CCCC(=O)NCC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000012752379 570709649 /nfs/dbraw/zinc/70/96/49/570709649.db2.gz PZTSSXDJEACXJZ-QGZVFWFLSA-N 1 0 393.536 0.258 50 0 GCAARO Cc1nc(-c2cccnc2SCC(=O)NCCN2CC[NH+](C)CC2)no1 ZINC000065211275 570730937 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CS(=O)(=O)c1cnc(N2CCc3nc(N)sc3C2)nc1[C@H]1CCC[NH2+]C1 ZINC000072463825 136171212 /nfs/dbraw/zinc/17/12/12/136171212.db2.gz VWGYQPNBHWTVBP-JTQLQIEISA-N 1 0 394.526 0.949 50 0 GCAARO CC(C)c1nc(N2CCC([NH2+]CCSc3nnnn3C)CC2)cc(=O)[nH]1 ZINC000095505077 136180200 /nfs/dbraw/zinc/18/02/00/136180200.db2.gz XBRJGLSTAOMLBI-UHFFFAOYSA-N 1 0 378.506 0.768 50 0 GCAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)CC2)n1 ZINC000095522989 136181263 /nfs/dbraw/zinc/18/12/63/136181263.db2.gz GDHDRHSVLULYQT-OALUTQOASA-N 1 0 375.517 0.830 50 0 GCAARO CCC[N@H+]1CCc2c(C(=O)N3CCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000299764569 209085524 /nfs/dbraw/zinc/08/55/24/209085524.db2.gz AVUGYIWLWRYHPS-HNNXBMFYSA-N 1 0 391.468 0.903 50 0 GCAARO C[NH+]1CCN(C[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000058156254 222041701 /nfs/dbraw/zinc/04/17/01/222041701.db2.gz LAJLETNNRDFBQX-FZKQIMNGSA-N 1 0 382.411 0.340 50 0 GCAARO CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071748677 222189381 /nfs/dbraw/zinc/18/93/81/222189381.db2.gz RIOLOCIPTYKMHJ-GOSISDBHSA-N 1 0 387.528 0.962 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(Cl)nc3)nn2)C[NH2+]1 ZINC000067447161 222146986 /nfs/dbraw/zinc/14/69/86/222146986.db2.gz DEOQLVAAYNIDLQ-NEPJUHHUSA-N 1 0 378.824 0.297 50 0 GCAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000067431963 222147279 /nfs/dbraw/zinc/14/72/79/222147279.db2.gz ACJORRHIIYFHJG-ZFWWWQNUSA-N 1 0 379.482 0.446 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)c3cc(F)ccc3Cl)nn2)C[NH2+]1 ZINC000067679138 222154441 /nfs/dbraw/zinc/15/44/41/222154441.db2.gz VDROKNONQLFWTQ-DOMZBBRYSA-N 1 0 394.838 0.992 50 0 GCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(-n3cnnc3)n2)CC1 ZINC000067878086 222165179 /nfs/dbraw/zinc/16/51/79/222165179.db2.gz GMPOUQKCJNVROH-UHFFFAOYSA-N 1 0 378.440 0.739 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(F)cc3F)nn2)C[NH2+]1 ZINC000071315369 222180839 /nfs/dbraw/zinc/18/08/39/222180839.db2.gz KRWKLDMXIXMMSB-RISCZKNCSA-N 1 0 379.371 0.527 50 0 GCAARO Cn1cc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071404201 222183427 /nfs/dbraw/zinc/18/34/27/222183427.db2.gz QCDXJJATAOAHHY-OAHLLOKOSA-N 1 0 388.516 0.814 50 0 GCAARO Cn1cc(NC(=O)CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071404200 222183889 /nfs/dbraw/zinc/18/38/89/222183889.db2.gz QCDXJJATAOAHHY-HNNXBMFYSA-N 1 0 388.516 0.814 50 0 GCAARO O=C(NC[C@@H]1CC[NH2+]C[C@H]1O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000071576101 222184911 /nfs/dbraw/zinc/18/49/11/222184911.db2.gz LMSZBEIHRYRUGP-SMDDNHRTSA-N 1 0 375.381 0.683 50 0 GCAARO O=C(c1ncc[nH]1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746048 222188161 /nfs/dbraw/zinc/18/81/61/222188161.db2.gz BGFXBLKVBBLPFM-HNNXBMFYSA-N 1 0 375.473 0.585 50 0 GCAARO Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000071759990 222193127 /nfs/dbraw/zinc/19/31/27/222193127.db2.gz YMEGYRGCVIUYBD-HNNXBMFYSA-N 1 0 376.505 0.413 50 0 GCAARO CNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071774519 222198189 /nfs/dbraw/zinc/19/81/89/222198189.db2.gz RQVFKONDAFNZNW-SFHVURJKSA-N 1 0 387.528 0.962 50 0 GCAARO O=C(CCO)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072168013 222214167 /nfs/dbraw/zinc/21/41/67/222214167.db2.gz VQXKMRKSKJOAAZ-QGZVFWFLSA-N 1 0 375.469 0.906 50 0 GCAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)CCCn3cnnn3)C2)CCC1=O ZINC000072422700 222257817 /nfs/dbraw/zinc/25/78/17/222257817.db2.gz KMXVAVRKLCVPPZ-SFHVURJKSA-N 1 0 377.493 0.246 50 0 GCAARO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C(CO)CO)C3)C2=O)c1OC ZINC000072426168 222258636 /nfs/dbraw/zinc/25/86/36/222258636.db2.gz AEAYBIVDEUYKMT-HXUWFJFHSA-N 1 0 378.469 0.872 50 0 GCAARO CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000072436003 222260238 /nfs/dbraw/zinc/26/02/38/222260238.db2.gz ITBUYPOTZXPMFN-SJORKVTESA-N 1 0 383.456 0.728 50 0 GCAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)C1 ZINC000095500724 222333544 /nfs/dbraw/zinc/33/35/44/222333544.db2.gz PSWXOGMTYZZUDI-HNNXBMFYSA-N 1 0 381.498 0.778 50 0 GCAARO COc1ccc(CN2CCN(C(N)=O)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095499727 222334282 /nfs/dbraw/zinc/33/42/82/222334282.db2.gz RTXMDOQFUKHETG-KRWDZBQOSA-N 1 0 394.516 0.971 50 0 GCAARO CCN1CC[C@@]2(CN(C(=O)Cn3nc(C)c(C)cc3=O)CC[N@@H+]2C)CCC1=O ZINC000095498954 222334974 /nfs/dbraw/zinc/33/49/74/222334974.db2.gz SHIXLLYWSGJBAF-HXUWFJFHSA-N 1 0 389.500 0.405 50 0 GCAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)[C@H]2CNCC(=O)N2)CC1 ZINC000095508776 222341186 /nfs/dbraw/zinc/34/11/86/222341186.db2.gz UUVZJHCCCBHKDB-GOSISDBHSA-N 1 0 388.512 0.496 50 0 GCAARO COCC(=O)N1CCCN(C(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)CC1 ZINC000077287867 222277672 /nfs/dbraw/zinc/27/76/72/222277672.db2.gz DSACUIKUVNYXLF-HNNXBMFYSA-N 1 0 378.477 0.131 50 0 GCAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@H]4CCCO4)CC3)OC2=O)CC1 ZINC000077426987 222280907 /nfs/dbraw/zinc/28/09/07/222280907.db2.gz HMIXXRAJCVECKG-QGZVFWFLSA-N 1 0 394.516 0.616 50 0 GCAARO CN(CC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1)Cc1ccccc1F ZINC000077437360 222281897 /nfs/dbraw/zinc/28/18/97/222281897.db2.gz BFGJEDZRICUUHE-HXUWFJFHSA-N 1 0 379.476 0.943 50 0 GCAARO CC(=O)N1CCc2c(nc(N(C)C)nc2NCCC[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000077452002 222282951 /nfs/dbraw/zinc/28/29/51/222282951.db2.gz MNRJRXVESJTMQE-OAHLLOKOSA-N 1 0 376.505 0.706 50 0 GCAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)CC(=O)NC)c2)CC1 ZINC000095521951 222347364 /nfs/dbraw/zinc/34/73/64/222347364.db2.gz JWDGSIXXTOHVOV-SFHVURJKSA-N 1 0 378.517 0.242 50 0 GCAARO O=C(NCCc1ccc2c(c1)OCO2)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096153778 222392038 /nfs/dbraw/zinc/39/20/38/222392038.db2.gz KSPLAOOZWYYJLZ-CVEARBPZSA-N 1 0 389.452 0.159 50 0 GCAARO CN(C)S(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2COCC[N@H+](C)C2)c1 ZINC000096163215 222392960 /nfs/dbraw/zinc/39/29/60/222392960.db2.gz OKIBSNPBOHASCG-ZDUSSCGKSA-N 1 0 385.490 0.605 50 0 GCAARO O=C(NCC1CC[NH+](CCO)CC1)N1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000426684602 534820553 /nfs/dbraw/zinc/82/05/53/534820553.db2.gz ZRDGVQRVJURKJN-QGZVFWFLSA-N 1 0 378.448 0.713 50 0 GCAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2C1 ZINC000426503647 528488806 /nfs/dbraw/zinc/48/88/06/528488806.db2.gz ZJBNFLLPVDYRMD-UHFFFAOYSA-N 1 0 382.446 0.179 50 0 GCAARO CC[NH+]1CCC(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)CC1 ZINC000091872160 528959516 /nfs/dbraw/zinc/95/95/16/528959516.db2.gz ABGNBWVSWLMJEQ-UHFFFAOYSA-N 1 0 383.518 0.397 50 0 GCAARO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237343270 536330872 /nfs/dbraw/zinc/33/08/72/536330872.db2.gz MXJYKKCVFDHRMU-LSDHHAIUSA-N 1 0 380.514 0.761 50 0 GCAARO COCCN1CC[C@]2(CN(c3nccc(N(C)C)n3)CC[N@@H+]2C)CCC1=O ZINC000095368661 536878471 /nfs/dbraw/zinc/87/84/71/536878471.db2.gz QBFWILASWQLLFG-IBGZPJMESA-N 1 0 376.505 0.692 50 0 GCAARO Cn1ccnc1CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000097436828 570243932 /nfs/dbraw/zinc/24/39/32/570243932.db2.gz GTUQCNICYIQZTH-AWEZNQCLSA-N 1 0 377.470 0.380 50 0 GCAARO O=C(CCn1cnnn1)N1CCC2(CC[NH+](C3CCCC3)CC2)[C@@H](CO)C1 ZINC000097474963 570244539 /nfs/dbraw/zinc/24/45/39/570244539.db2.gz SGOVKWKXYXZCJA-MRXNPFEDSA-N 1 0 376.505 0.929 50 0 GCAARO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C[C@H](C)O1 ZINC000584901291 570270807 /nfs/dbraw/zinc/27/08/07/570270807.db2.gz RGIYUNGUCXGATK-IYBDPMFKSA-N 1 0 377.489 0.981 50 0 GCAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC([NH+]2CCOCC2)CC1 ZINC000022634141 570272432 /nfs/dbraw/zinc/27/24/32/570272432.db2.gz CHBFNJFOULTOJC-UHFFFAOYSA-N 1 0 388.472 0.839 50 0 GCAARO CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020819286 570282090 /nfs/dbraw/zinc/28/20/90/570282090.db2.gz JQEXUQLNIBURSK-UHFFFAOYSA-N 1 0 382.530 0.840 50 0 GCAARO C[NH2+]C1CCN(C(=O)c2cccc(S(=O)(=O)N3CC[C@@H](OC)C3)c2)CC1 ZINC000215097257 570285562 /nfs/dbraw/zinc/28/55/62/570285562.db2.gz ORASBBHGEDNOSN-MRXNPFEDSA-N 1 0 381.498 0.920 50 0 GCAARO COCCN1C[C@]2(CCCN(C(=O)CN3CCC[N@H+](C)CC3)C2)CCC1=O ZINC000107674947 570310785 /nfs/dbraw/zinc/31/07/85/570310785.db2.gz WRLVGHFNJFFJJV-HXUWFJFHSA-N 1 0 380.533 0.502 50 0 GCAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000575603372 570328136 /nfs/dbraw/zinc/32/81/36/570328136.db2.gz FPXLAXVFEJKIJR-UHFFFAOYSA-N 1 0 398.467 0.124 50 0 GCAARO C[NH2+]CC1CCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC000237103718 570328460 /nfs/dbraw/zinc/32/84/60/570328460.db2.gz ZLUVNFJPASUGKV-GOSISDBHSA-N 1 0 399.495 0.582 50 0 GCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000004653896 570389753 /nfs/dbraw/zinc/38/97/53/570389753.db2.gz VNKIZKYIUSDYGQ-MRXNPFEDSA-N 1 0 391.424 0.937 50 0 GCAARO O=C(CC[N@H+]1CCCn2nc([C@@H](O)CO)cc2C1)NCc1ccc(F)cc1 ZINC000222505214 570412942 /nfs/dbraw/zinc/41/29/42/570412942.db2.gz WOJPRSGEMWAFBS-SFHVURJKSA-N 1 0 376.432 0.960 50 0 GCAARO CNC(=O)C1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000025755167 570418868 /nfs/dbraw/zinc/41/88/68/570418868.db2.gz FVIUDSJYTCOILI-UHFFFAOYSA-N 1 0 380.533 0.596 50 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1 0 386.496 0.240 50 0 GCAARO Cn1nc(C(N)=O)c2c1CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C2 ZINC000584903584 570274017 /nfs/dbraw/zinc/27/40/17/570274017.db2.gz JUQOBZJCJCRHPC-CYBMUJFWSA-N 1 0 376.486 0.951 50 0 GCAARO CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC[NH+](C)C)c3=O)cc1 ZINC000012234069 570275584 /nfs/dbraw/zinc/27/55/84/570275584.db2.gz STGOFMDZORBZFJ-UHFFFAOYSA-N 1 0 386.456 0.870 50 0 GCAARO Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000215158037 570286071 /nfs/dbraw/zinc/28/60/71/570286071.db2.gz FBXGPVCQURPZJK-CQSZACIVSA-N 1 0 391.497 0.362 50 0 GCAARO O=C(CCn1ccc(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000215471090 570289360 /nfs/dbraw/zinc/28/93/60/570289360.db2.gz YFBHZYWQUZIANR-SFHVURJKSA-N 1 0 382.464 0.628 50 0 GCAARO O=C(c1c[nH]c2ncnn2c1=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000102528376 570289580 /nfs/dbraw/zinc/28/95/80/570289580.db2.gz XIIMVAQTZDKTLM-INIZCTEOSA-N 1 0 378.436 0.733 50 0 GCAARO CCc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CC[C@H]([NH3+])C3)c2)no1 ZINC000215704741 570290677 /nfs/dbraw/zinc/29/06/77/570290677.db2.gz TXHBOSXRRWVYHB-LBPRGKRZSA-N 1 0 379.442 0.284 50 0 GCAARO Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC[NH2+]CC3)c2)no1 ZINC000216049091 570295289 /nfs/dbraw/zinc/29/52/89/570295289.db2.gz BUCWZVRSHQPHPM-UHFFFAOYSA-N 1 0 379.442 0.292 50 0 GCAARO O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N2CCc3n[nH]cc3C2)c1 ZINC000216174829 570296818 /nfs/dbraw/zinc/29/68/18/570296818.db2.gz DLRPIKRIVGXXTF-AWEZNQCLSA-N 1 0 375.454 0.248 50 0 GCAARO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000005026247 570399920 /nfs/dbraw/zinc/39/99/20/570399920.db2.gz VOEHBRXORVXGPD-CYBMUJFWSA-N 1 0 394.497 0.390 50 0 GCAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1scc3c1OCCO3)C2 ZINC000223566644 570471637 /nfs/dbraw/zinc/47/16/37/570471637.db2.gz LRUOORBGGUOJNQ-ZDUSSCGKSA-N 1 0 378.454 0.967 50 0 GCAARO Cc1ccc(S(=O)(=O)NCC[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006590925 570488978 /nfs/dbraw/zinc/48/89/78/570488978.db2.gz ZPAVPGYSAJBUDF-UHFFFAOYSA-N 1 0 397.522 0.753 50 0 GCAARO NS(=O)(=O)c1ccc(CNC(=O)C[NH2+]CCOc2ccccc2F)cc1 ZINC000016695452 570495248 /nfs/dbraw/zinc/49/52/48/570495248.db2.gz VWQBKWAUHSQGIE-UHFFFAOYSA-N 1 0 381.429 0.758 50 0 GCAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002733125 570511539 /nfs/dbraw/zinc/51/15/39/570511539.db2.gz DYDKWSZEQQVIQK-MRXNPFEDSA-N 1 0 399.561 0.977 50 0 GCAARO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H]1CCC[NH2+]1)n2C ZINC000178745235 570513907 /nfs/dbraw/zinc/51/39/07/570513907.db2.gz QKUGHYNQADCMNK-CYBMUJFWSA-N 1 0 393.513 0.624 50 0 GCAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000035421955 570552987 /nfs/dbraw/zinc/55/29/87/570552987.db2.gz VZYWDLASXRJRJC-UHFFFAOYSA-N 1 0 390.484 0.946 50 0 GCAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000006739187 570561413 /nfs/dbraw/zinc/56/14/13/570561413.db2.gz KSYPGYNNFCHWGI-CABCVRRESA-N 1 0 396.538 0.967 50 0 GCAARO 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570850742 /nfs/dbraw/zinc/85/07/42/570850742.db2.gz DTPDWFDXVGDDOA-INIZCTEOSA-N 1 0 387.484 0.652 50 0 GCAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000071763542 570851151 /nfs/dbraw/zinc/85/11/51/570851151.db2.gz IGTYMVCRROBUMN-OAHLLOKOSA-N 1 0 397.483 0.720 50 0 GCAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc(C)n[nH]3)CC2)C1 ZINC000071775520 570852614 /nfs/dbraw/zinc/85/26/14/570852614.db2.gz PRJMRYIKVLRSDJ-HNNXBMFYSA-N 1 0 377.489 0.797 50 0 GCAARO NC(=O)c1noc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071775736 570853331 /nfs/dbraw/zinc/85/33/31/570853331.db2.gz YDRQXMKXZCIMSV-GFCCVEGCSA-N 1 0 376.461 0.124 50 0 GCAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000072143122 570869725 /nfs/dbraw/zinc/86/97/25/570869725.db2.gz HHAZXHDHVCJEQZ-QGZVFWFLSA-N 1 0 385.468 0.753 50 0 GCAARO CN1c2ccccc2C2(CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)C1=O ZINC000072148103 570872733 /nfs/dbraw/zinc/87/27/33/570872733.db2.gz 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CCCC[N@H+](CC)CCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000004731124 570942420 /nfs/dbraw/zinc/94/24/20/570942420.db2.gz JKRTUFPYDKNBPP-UHFFFAOYSA-N 1 0 387.484 0.751 50 0 GCAARO CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2)CC1 ZINC000019528114 570998281 /nfs/dbraw/zinc/99/82/81/570998281.db2.gz YTPNAIOXOQLCJO-MRXNPFEDSA-N 1 0 386.456 0.466 50 0 GCAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091433719 571007780 /nfs/dbraw/zinc/00/77/80/571007780.db2.gz BVUJUMUNFZUFIM-RDJZCZTQSA-N 1 0 388.516 0.215 50 0 GCAARO CN1CC[NH+]([C@H]2CCN(C(=O)CSc3ncccn3)C[C@H]2CCCO)CC1 ZINC000091440392 571008059 /nfs/dbraw/zinc/00/80/59/571008059.db2.gz AQLFNSDRXPHBQE-SJORKVTESA-N 1 0 393.557 0.806 50 0 GCAARO C[N@H+](CCO)C[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@@H]1CO ZINC000091444460 571008143 /nfs/dbraw/zinc/00/81/43/571008143.db2.gz SFGVKKGBVSQFFS-IAGOWNOFSA-N 1 0 376.501 0.677 50 0 GCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@@H]2CO)CC1 ZINC000091548259 571013633 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O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)NCCC[NH+]1CCCC1 ZINC000064888580 222086785 /nfs/dbraw/zinc/08/67/85/222086785.db2.gz ZUOBGRUCUAZMJW-UHFFFAOYSA-N 1 0 390.459 0.599 50 0 GCAARO CN(C)C(=O)CN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C1=O ZINC000067649903 222151656 /nfs/dbraw/zinc/15/16/56/222151656.db2.gz YSUBUGGHJIWWBH-IBGZPJMESA-N 1 0 376.432 0.747 50 0 GCAARO CC(=O)NCCNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067673090 222154327 /nfs/dbraw/zinc/15/43/27/222154327.db2.gz CDFNSKBTCXQKQY-UHFFFAOYSA-N 1 0 375.473 0.566 50 0 GCAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCN3CCNC3=O)C2=O)c1 ZINC000067741944 222158027 /nfs/dbraw/zinc/15/80/27/222158027.db2.gz XWQBOACESYBMKT-IBGZPJMESA-N 1 0 376.457 0.164 50 0 GCAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3nccn3C)CC2)C1 ZINC000071749420 222190517 /nfs/dbraw/zinc/19/05/17/222190517.db2.gz NYDPWCLFTXFVGW-OAHLLOKOSA-N 1 0 377.489 0.499 50 0 GCAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Nc3ccc(Cl)cc3)nn2)C[NH2+]1 ZINC000067769464 222159002 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INMWPHFWUXVFMT-INIZCTEOSA-N 1 0 381.498 0.922 50 0 GCAARO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+](C)C)C(=O)CO2 ZINC000035377017 570347255 /nfs/dbraw/zinc/34/72/55/570347255.db2.gz BELVOPOHMBURRN-UHFFFAOYSA-N 1 0 376.457 0.572 50 0 GCAARO C[C@H](C[NH3+])N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000237604135 570362661 /nfs/dbraw/zinc/36/26/61/570362661.db2.gz QGXVPTKSFQJHMZ-GFCCVEGCSA-N 1 0 381.502 0.562 50 0 GCAARO COCCn1c(CN2CC[N@@H+]3CCC[C@H]3C2)cnc1S(=O)(=O)CC1CC1 ZINC000244887868 570433867 /nfs/dbraw/zinc/43/38/67/570433867.db2.gz YPVHTAKMXZVQMW-INIZCTEOSA-N 1 0 382.530 0.993 50 0 GCAARO O=C(CC[NH+]1CCN(c2cnccn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000027635462 570438011 /nfs/dbraw/zinc/43/80/11/570438011.db2.gz QQJSRQTVRBLTDL-UHFFFAOYSA-N 1 0 381.484 0.733 50 0 GCAARO [NH3+][C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000269113119 570524707 /nfs/dbraw/zinc/52/47/07/570524707.db2.gz LEUKYDAGPSNWMV-KBPBESRZSA-N 1 0 393.465 0.573 50 0 GCAARO 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O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(F)(F)CN1C1CN(C(=O)C2CC2)C1 ZINC000675021854 1189672871 /nfs/dbraw/zinc/67/28/71/1189672871.db2.gz JWIUAZAPLJPOAS-INIZCTEOSA-N 1 0 384.471 0.919 50 0 GCAARO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000261843726 1194348298 /nfs/dbraw/zinc/34/82/98/1194348298.db2.gz QVSJAJOEJVSDDC-AWEZNQCLSA-N 1 0 397.888 0.525 50 0 GCAARO OCCNc1nc([C@@H]2CCOC2)cc(N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000426478050 1195344218 /nfs/dbraw/zinc/34/42/18/1195344218.db2.gz RMBVHACXXUDNCK-OAHLLOKOSA-N 1 0 377.489 0.686 50 0 GCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007960817 1199873019 /nfs/dbraw/zinc/87/30/19/1199873019.db2.gz FYZULUYKDIKNIV-MRXNPFEDSA-N 1 0 396.513 0.866 50 0 GCAARO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 ZINC000095966678 1199890173 /nfs/dbraw/zinc/89/01/73/1199890173.db2.gz MITUBNVDTAHSCN-AWEZNQCLSA-N 1 0 381.383 0.511 50 0 GCAARO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 ZINC000095966679 1199890265 /nfs/dbraw/zinc/89/02/65/1199890265.db2.gz MITUBNVDTAHSCN-CQSZACIVSA-N 1 0 381.383 0.511 50 0 GCAARO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)N1CCOCC1 ZINC000003211797 1200002585 /nfs/dbraw/zinc/00/25/85/1200002585.db2.gz KXIHULXPZXQAGP-INIZCTEOSA-N 1 0 384.498 0.933 50 0 GCAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000004258589 1200162556 /nfs/dbraw/zinc/16/25/56/1200162556.db2.gz XGUIIADGINTIHJ-UHFFFAOYSA-N 1 0 383.456 0.608 50 0 GCAARO COCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000045974605 1201222204 /nfs/dbraw/zinc/22/22/04/1201222204.db2.gz UYRWUTIVZMYRQQ-UHFFFAOYSA-N 1 0 385.486 0.154 50 0 GCAARO CCc1cc(C[NH+]2CCC3(CC2)CN(C(=O)Cn2cnnn2)CCO3)on1 ZINC000823565606 1201605688 /nfs/dbraw/zinc/60/56/88/1201605688.db2.gz QJGDCRTUKNUOOW-UHFFFAOYSA-N 1 0 375.433 0.117 50 0 GCAARO COc1cc(=O)n2c(c1C(=O)NCc1nc(-c3ccccn3)no1)CC[NH2+]CC2 ZINC000824530779 1201644380 /nfs/dbraw/zinc/64/43/80/1201644380.db2.gz QKCHHVPPQVRPPZ-UHFFFAOYSA-N 1 0 396.407 0.378 50 0 GCAARO C[C@@H](C(N)=O)N1CCOC2(CC[NH+](Cc3cccc(OCCO)c3)CC2)C1 ZINC000828771348 1201719863 /nfs/dbraw/zinc/71/98/63/1201719863.db2.gz LZPQBDQFWFXRBC-INIZCTEOSA-N 1 0 377.485 0.598 50 0 GCAARO COCCn1ncc(N2CC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1=O ZINC000581792658 1201898452 /nfs/dbraw/zinc/89/84/52/1201898452.db2.gz OGQNMQRJKYSBKF-INIZCTEOSA-N 1 0 377.489 0.318 50 0 GCAARO CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccc(OC)c2)C[C@H]1[NH+](C)C ZINC000581799000 1201898498 /nfs/dbraw/zinc/89/84/98/1201898498.db2.gz GUGRRPOORIUVJA-CZUORRHYSA-N 1 0 384.502 0.565 50 0 GCAARO CC[N@H+](C1CN(C(=O)c2cc(CN3CCOCC3)on2)C1)C1CCN(C)CC1 ZINC000581799813 1201898558 /nfs/dbraw/zinc/89/85/58/1201898558.db2.gz ZNBCQBUDLWLOPV-UHFFFAOYSA-N 1 0 391.516 0.747 50 0 GCAARO COCCCNC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581803458 1201898933 /nfs/dbraw/zinc/89/89/33/1201898933.db2.gz YXBAOCRPIBXOMM-INIZCTEOSA-N 1 0 382.505 0.378 50 0 GCAARO COC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1 ZINC000095355533 230975698 /nfs/dbraw/zinc/97/56/98/230975698.db2.gz QCGJHAGFFPBBBZ-CQSZACIVSA-N 1 0 381.498 0.825 50 0 GCAARO NS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426371204 231209747 /nfs/dbraw/zinc/20/97/47/231209747.db2.gz SIDMAFFJURVKML-INIZCTEOSA-N 1 0 381.502 0.039 50 0 GCAARO Cn1c2ccc(CNC(=O)Cn3ccc([C@H]4CCC[NH2+]C4)n3)cc2n(C)c1=O ZINC000426471592 231224461 /nfs/dbraw/zinc/22/44/61/231224461.db2.gz PNZXXCIGYJYVRC-HNNXBMFYSA-N 1 0 382.468 0.857 50 0 GCAARO Cc1nn2cc(CNC(=O)N3CCN(CCn4cncn4)CC3)nc2s1 ZINC000426477920 231226369 /nfs/dbraw/zinc/22/63/69/231226369.db2.gz ASAWQMDWGSVIJW-UHFFFAOYSA-N 1 0 375.462 0.218 50 0 GCAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426602315 529830843 /nfs/dbraw/zinc/83/08/43/529830843.db2.gz ACFJLAKVMWOWPM-QGZVFWFLSA-N 1 0 380.514 0.720 50 0 GCAARO CC(C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)N1CC[NH+](C)CC1 ZINC000187191287 530140704 /nfs/dbraw/zinc/14/07/04/530140704.db2.gz IVTMOLZNDTVETN-CQSZACIVSA-N 1 0 379.477 0.699 50 0 GCAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000269261234 530173696 /nfs/dbraw/zinc/17/36/96/530173696.db2.gz JLGMUESGGNNXCQ-NXEZZACHSA-N 1 0 397.277 0.478 50 0 GCAARO CCOP(=O)(OCC)[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N1CCOCC1 ZINC000585152200 530228084 /nfs/dbraw/zinc/22/80/84/530228084.db2.gz ACTKLAWCIHAYNJ-OCCSQVGLSA-N 1 0 379.394 0.537 50 0 GCAARO O=C(c1cccc(S(=O)(=O)NCCc2nccs2)c1)N1CC[NH2+]CC1 ZINC000097819654 530245202 /nfs/dbraw/zinc/24/52/02/530245202.db2.gz WKKMLGGTQRIEFX-UHFFFAOYSA-N 1 0 380.495 0.710 50 0 GCAARO CS(=O)(=O)N1CCC(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000225570963 530263549 /nfs/dbraw/zinc/26/35/49/530263549.db2.gz UGPBSBDRESRBRG-INIZCTEOSA-N 1 0 389.587 0.992 50 0 GCAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000151021306 530694964 /nfs/dbraw/zinc/69/49/64/530694964.db2.gz DFPPEGABEACZEV-SECBINFHSA-N 1 0 376.276 0.921 50 0 GCAARO CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000125087651 209110694 /nfs/dbraw/zinc/11/06/94/209110694.db2.gz ILPVWWNBTMHOIK-QMMMGPOBSA-N 1 0 383.289 0.574 50 0 GCAARO CCn1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c(C)n1 ZINC000014748907 207029623 /nfs/dbraw/zinc/02/96/23/207029623.db2.gz ZKGWFCWHZGZWFL-WDSOQIARSA-N 1 0 397.479 0.717 50 0 GCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016034087 207072204 /nfs/dbraw/zinc/07/22/04/207072204.db2.gz XWNOOIIVMBMZTL-AUKZQPGHSA-N 1 0 384.436 0.471 50 0 GCAARO COc1cc(C[NH2+]CCn2ccnc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000019227281 207109597 /nfs/dbraw/zinc/10/95/97/207109597.db2.gz KMQOTGZYRAIROF-SFHVURJKSA-N 1 0 390.484 0.753 50 0 GCAARO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 ZINC000019848968 207166417 /nfs/dbraw/zinc/16/64/17/207166417.db2.gz MNPMZAUGCVRPFT-KRWDZBQOSA-N 1 0 398.463 0.638 50 0 GCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000020026509 207175280 /nfs/dbraw/zinc/17/52/80/207175280.db2.gz ZLGHHFUDWSKMAI-UHFFFAOYSA-N 1 0 396.495 0.424 50 0 GCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000020565951 207202369 /nfs/dbraw/zinc/20/23/69/207202369.db2.gz IKQZUNAWFMKOIA-BCEDRHLLSA-N 1 0 384.436 0.473 50 0 GCAARO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031339515 207381621 /nfs/dbraw/zinc/38/16/21/207381621.db2.gz ZBFCJVFCHOTWOM-UHFFFAOYSA-N 1 0 378.432 0.864 50 0 GCAARO COc1cccc(CN2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2=O)c1 ZINC000077541619 208049095 /nfs/dbraw/zinc/04/90/95/208049095.db2.gz RCNRASIDFAVZBR-INIZCTEOSA-N 1 0 375.469 0.834 50 0 GCAARO CC(=O)c1ccc(OCC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077286173 208035652 /nfs/dbraw/zinc/03/56/52/208035652.db2.gz SFMPPNJJIAOASI-HXUWFJFHSA-N 1 0 376.453 0.954 50 0 GCAARO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn(CC[C@@H]3CCCC[NH2+]3)nn1)CC2 ZINC000077353430 208041454 /nfs/dbraw/zinc/04/14/54/208041454.db2.gz ZOPLTZCCNHZQCR-AWEZNQCLSA-N 1 0 385.472 0.443 50 0 GCAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@H+](CC)CC2)[C@H]3C1=O ZINC000077379397 208042634 /nfs/dbraw/zinc/04/26/34/208042634.db2.gz HETBPMMBQLMSNW-CLWJZODNSA-N 1 0 377.485 0.359 50 0 GCAARO Cc1cccc2ncc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c(=O)n12 ZINC000077440048 208044658 /nfs/dbraw/zinc/04/46/58/208044658.db2.gz GHWLTUVWCYJNCI-HXUWFJFHSA-N 1 0 386.452 0.302 50 0 GCAARO Cc1cc(C)cc(CN2CCN(C(=O)C3([NH3+])CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000082121949 208078979 /nfs/dbraw/zinc/07/89/79/208078979.db2.gz OMOZVNULNKIISY-SJORKVTESA-N 1 0 377.510 0.605 50 0 GCAARO CCN1CC[C@]2(CN(Cc3nc4c(cnn4C)c(=O)[nH]3)CC[N@@H+]2C)CCC1=O ZINC000091680453 208131786 /nfs/dbraw/zinc/13/17/86/208131786.db2.gz NDQRAELIGANAMS-IBGZPJMESA-N 1 0 387.488 0.175 50 0 GCAARO CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000091665676 208133792 /nfs/dbraw/zinc/13/37/92/208133792.db2.gz ZPMDWVWUJIAZNV-AWEZNQCLSA-N 1 0 375.473 0.401 50 0 GCAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(O)c1 ZINC000091713957 208135689 /nfs/dbraw/zinc/13/56/89/208135689.db2.gz WQSKITOXARZFNI-HZPDHXFCSA-N 1 0 377.485 0.719 50 0 GCAARO Cc1ncn(CC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1C ZINC000091551730 208121675 /nfs/dbraw/zinc/12/16/75/208121675.db2.gz XNXQEDJHNOTXKP-MOPGFXCFSA-N 1 0 377.533 0.737 50 0 GCAARO C[N@@H+]1CCN(Cc2nc(-c3ccco3)no2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000095372758 208166768 /nfs/dbraw/zinc/16/67/68/208166768.db2.gz DFNLJURBXQYBMP-IBGZPJMESA-N 1 0 389.456 0.821 50 0 GCAARO COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CC[NH2+]CC2 ZINC000095371232 208167010 /nfs/dbraw/zinc/16/70/10/208167010.db2.gz AQZUTDDXQDVMAS-UHFFFAOYSA-N 1 0 379.413 0.571 50 0 GCAARO Cc1cn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c(=O)[nH]c1=O ZINC000095378385 208168532 /nfs/dbraw/zinc/16/85/32/208168532.db2.gz KJCIDXAYPGZPBD-DLBZAZTESA-N 1 0 383.452 0.363 50 0 GCAARO O=C(NCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000095389369 208175165 /nfs/dbraw/zinc/17/51/65/208175165.db2.gz VJXQBXKXRCUJER-INIZCTEOSA-N 1 0 381.498 0.970 50 0 GCAARO Cc1nc2cc(C)ccn2c1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095380259 208171975 /nfs/dbraw/zinc/17/19/75/208171975.db2.gz AFXBNKAFLFRJQB-QZTJIDSGSA-N 1 0 385.512 0.879 50 0 GCAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)C2 ZINC000095380215 208173210 /nfs/dbraw/zinc/17/32/10/208173210.db2.gz IISVKMHVDZNPEG-CHWSQXEVSA-N 1 0 385.461 0.656 50 0 GCAARO Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383940 208173883 /nfs/dbraw/zinc/17/38/83/208173883.db2.gz WMDPKWAJAZOFEM-PWIZWCRZSA-N 1 0 382.464 0.935 50 0 GCAARO Cc1nnnn1Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000091872537 208140310 /nfs/dbraw/zinc/14/03/10/208140310.db2.gz NRWVPFQNQYXMMY-RTBURBONSA-N 1 0 384.484 0.806 50 0 GCAARO O=C(c1ccc2c(c1)OCO2)N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000095392385 208178174 /nfs/dbraw/zinc/17/81/74/208178174.db2.gz BSPWWGDMFFTXAD-IAGOWNOFSA-N 1 0 376.453 0.800 50 0 GCAARO CC[C@H](CO)[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000095443524 208181270 /nfs/dbraw/zinc/18/12/70/208181270.db2.gz WUCYBWGNSSAMNF-QMTMVMCOSA-N 1 0 380.489 0.402 50 0 GCAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3(C)COC3)c2)C1 ZINC000095500725 208200244 /nfs/dbraw/zinc/20/02/44/208200244.db2.gz PSWXOGMTYZZUDI-OAHLLOKOSA-N 1 0 381.498 0.778 50 0 GCAARO COc1ccc([C@@H]2CN(C(=O)Cn3nnnc3N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095499574 208201610 /nfs/dbraw/zinc/20/16/10/208201610.db2.gz VOMAIVVDFLBUAP-CGTJXYLNSA-N 1 0 383.456 0.353 50 0 GCAARO COc1cc(CN2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095512944 208214601 /nfs/dbraw/zinc/21/46/01/208214601.db2.gz UWCPNOXUXZUHMY-SFHVURJKSA-N 1 0 380.485 0.724 50 0 GCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000095511017 208215177 /nfs/dbraw/zinc/21/51/77/208215177.db2.gz NWTWACOSSIKKEN-NHCUHLMSSA-N 1 0 386.540 0.359 50 0 GCAARO COc1ccc(CN2CCOCC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000095520067 208219539 /nfs/dbraw/zinc/21/95/39/208219539.db2.gz LOFICQFEZWNDGP-GOSISDBHSA-N 1 0 379.501 0.515 50 0 GCAARO COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000095520066 208220031 /nfs/dbraw/zinc/22/00/31/208220031.db2.gz LOFICQFEZWNDGP-SFHVURJKSA-N 1 0 379.501 0.515 50 0 GCAARO Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)o1 ZINC000095957634 208244612 /nfs/dbraw/zinc/24/46/12/208244612.db2.gz RIFSRUOLSXVIRF-INIZCTEOSA-N 1 0 377.489 0.738 50 0 GCAARO CN(CCO)Cc1nnc(C2CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)n1C ZINC000096162495 208281190 /nfs/dbraw/zinc/28/11/90/208281190.db2.gz FAGPNBIODPVEDX-UHFFFAOYSA-N 1 0 392.548 0.820 50 0 GCAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(O)c2)C[N@@H+]1C1CCOCC1 ZINC000096166625 208283530 /nfs/dbraw/zinc/28/35/30/208283530.db2.gz MVLQSGQVWHFSHK-YJBOKZPZSA-N 1 0 375.469 0.809 50 0 GCAARO O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCC(c2ccncn2)CC1 ZINC000096179873 208283939 /nfs/dbraw/zinc/28/39/39/208283939.db2.gz RVJAEJLWAVIELK-SJORKVTESA-N 1 0 387.484 0.267 50 0 GCAARO [NH3+]CCOCCOCCN1C(=O)C(Br)=C(Br)C1=O ZINC000096503404 208318548 /nfs/dbraw/zinc/31/85/48/208318548.db2.gz LSJBUXFSRLIRAX-UHFFFAOYSA-N 1 0 386.040 0.349 50 0 GCAARO O=C(NCC1CC[NH2+]CC1)c1cccc(S(=O)(=O)NC2CCOCC2)c1 ZINC000097528841 208357124 /nfs/dbraw/zinc/35/71/24/208357124.db2.gz LTPWDTFXHOQIKW-UHFFFAOYSA-N 1 0 381.498 0.873 50 0 GCAARO Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@H](C)C3)c2)[nH]1 ZINC000097532574 208357983 /nfs/dbraw/zinc/35/79/83/208357983.db2.gz BDNNJQGLMRUOKK-LLVKDONJSA-N 1 0 378.458 0.026 50 0 GCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000237489288 208466656 /nfs/dbraw/zinc/46/66/56/208466656.db2.gz JLGMUESGGNNXCQ-VHSXEESVSA-N 1 0 397.277 0.478 50 0 GCAARO COCCn1c(CN2CCC3(CCC(=O)N3C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244708212 209022771 /nfs/dbraw/zinc/02/27/71/209022771.db2.gz KPMWOTQCLLIKOA-GASCZTMLSA-N 1 0 376.505 0.716 50 0 GCAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000299800114 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0.514 50 0 GCAARO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000010450156 570570679 /nfs/dbraw/zinc/57/06/79/570570679.db2.gz AVPAPANYEAXLIH-UHFFFAOYSA-N 1 0 397.497 0.826 50 0 GCAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2nnnc2CN2CCCCCC2)C1 ZINC000012092436 570607637 /nfs/dbraw/zinc/60/76/37/570607637.db2.gz RUMCPDRFAVZFEE-KRWDZBQOSA-N 1 0 393.536 0.524 50 0 GCAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cn1nnnc1CN1CCCC1 ZINC000012386153 570650962 /nfs/dbraw/zinc/65/09/62/570650962.db2.gz DUKHHBQCCPHLJJ-SFHVURJKSA-N 1 0 383.500 0.784 50 0 GCAARO CC[NH+](CC)CCNC(=O)[C@@H](CCS(C)(=O)=O)N1Cc2ccccc2C1=O ZINC000006875150 570664124 /nfs/dbraw/zinc/66/41/24/570664124.db2.gz JINPVPXYBLUVTN-QGZVFWFLSA-N 1 0 395.525 0.904 50 0 GCAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cn2nnc3ccccc3c2=O)C[C@H](C)O1 ZINC000229653553 570665492 /nfs/dbraw/zinc/66/54/92/570665492.db2.gz FZJSJNZSIZXRJH-OWCLPIDISA-N 1 0 385.468 0.892 50 0 GCAARO CC(C)NS(=O)(=O)c1cccnc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000241466090 570686919 /nfs/dbraw/zinc/68/69/19/570686919.db2.gz NUSCYUIHAJWMHF-MRXNPFEDSA-N 1 0 381.546 0.985 50 0 GCAARO C[NH+](C)C1(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 ZINC000006935207 570713664 /nfs/dbraw/zinc/71/36/64/570713664.db2.gz IILUSCKGWXUWMY-AWEZNQCLSA-N 1 0 398.529 0.533 50 0 GCAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)CC1 ZINC000065362096 570759442 /nfs/dbraw/zinc/75/94/42/570759442.db2.gz FZZOPBKFRQBUNY-UHFFFAOYSA-N 1 0 394.541 0.838 50 0 GCAARO C[NH+](C)CCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944155 570771842 /nfs/dbraw/zinc/77/18/42/570771842.db2.gz DPVLZIMHPRJEMO-UHFFFAOYSA-N 1 0 380.448 0.889 50 0 GCAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000067727518 570789006 /nfs/dbraw/zinc/78/90/06/570789006.db2.gz RCMNRWSGQWBJFF-CYBMUJFWSA-N 1 0 385.476 0.677 50 0 GCAARO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CCN(CCc2ccncc2)CC1 ZINC000067789678 570791098 /nfs/dbraw/zinc/79/10/98/570791098.db2.gz DSARSQDGAMHFRJ-SFHVURJKSA-N 1 0 383.500 0.673 50 0 GCAARO O=C(c1c[nH]c(=O)cn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000067788793 570791384 /nfs/dbraw/zinc/79/13/84/570791384.db2.gz GNTJALRTKICBMN-OAHLLOKOSA-N 1 0 387.484 0.709 50 0 GCAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000067833589 570793198 /nfs/dbraw/zinc/79/31/98/570793198.db2.gz MFCXUUGVTAZJCW-UHFFFAOYSA-N 1 0 389.481 0.411 50 0 GCAARO CCC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000067974111 570799071 /nfs/dbraw/zinc/79/90/71/570799071.db2.gz LWRYEKDLQKMUPC-INIZCTEOSA-N 1 0 378.517 0.443 50 0 GCAARO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000101424103 570821913 /nfs/dbraw/zinc/82/19/13/570821913.db2.gz QJBKMKPRJDSGCG-AWEZNQCLSA-N 1 0 378.498 0.997 50 0 GCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004680115 570825882 /nfs/dbraw/zinc/82/58/82/570825882.db2.gz DVCSXDVBVWNFOR-INIZCTEOSA-N 1 0 391.424 0.937 50 0 GCAARO Cn1ncnc1CCNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071405841 570833389 /nfs/dbraw/zinc/83/33/89/570833389.db2.gz XFYRQWDKILQJIS-UHFFFAOYSA-N 1 0 378.440 0.671 50 0 GCAARO O=C(NC(CO)CO)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071614825 570842022 /nfs/dbraw/zinc/84/20/22/570842022.db2.gz HVUYCFOAMUCADK-SFHVURJKSA-N 1 0 375.513 0.832 50 0 GCAARO CC(=O)N1CCc2c(nc(N(C)C)nc2NCC[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000071661799 570842412 /nfs/dbraw/zinc/84/24/12/570842412.db2.gz JQBZAMSZCZPRGL-OAHLLOKOSA-N 1 0 376.505 0.706 50 0 GCAARO CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000071767711 570852085 /nfs/dbraw/zinc/85/20/85/570852085.db2.gz POEZIZRABLLCKS-CQSZACIVSA-N 1 0 382.468 0.868 50 0 GCAARO Cc1nc2ccccc2c(=O)n1Cc1noc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000033255824 570863554 /nfs/dbraw/zinc/86/35/54/570863554.db2.gz FCDHIYDFWXRHRD-UHFFFAOYSA-N 1 0 382.424 0.962 50 0 GCAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000072116006 570866158 /nfs/dbraw/zinc/86/61/58/570866158.db2.gz CVMVXEUBVPXVOQ-IYBDPMFKSA-N 1 0 388.578 0.989 50 0 GCAARO Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1=O ZINC000072135260 570869220 /nfs/dbraw/zinc/86/92/20/570869220.db2.gz DJBSGKQMCHMFIU-SFHVURJKSA-N 1 0 384.480 0.782 50 0 GCAARO CCOc1ccc(NC(=O)CC(=O)N2CCO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC000072143896 570870313 /nfs/dbraw/zinc/87/03/13/570870313.db2.gz QHDWEWIQEZTBBT-LJQANCHMSA-N 1 0 377.441 0.631 50 0 GCAARO Cc1cc(N2CCN(C(=O)Cn3nnnc3CN(C)C(C)C)CC2)cc(C)[nH+]1 ZINC000015061761 570874706 /nfs/dbraw/zinc/87/47/06/570874706.db2.gz BQKVSGACRQNRTG-UHFFFAOYSA-N 1 0 386.504 0.874 50 0 GCAARO Cc1ccc(C(=O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000170624310 570880524 /nfs/dbraw/zinc/88/05/24/570880524.db2.gz QYNWHXGVJJRAHS-UHFFFAOYSA-N 1 0 384.440 0.588 50 0 GCAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccn[nH]1 ZINC000299792729 570896341 /nfs/dbraw/zinc/89/63/41/570896341.db2.gz FPRQCXHUGLHEET-INIZCTEOSA-N 1 0 375.473 0.489 50 0 GCAARO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000299799062 570897628 /nfs/dbraw/zinc/89/76/28/570897628.db2.gz SJXDBYVWQNIYLA-GJZGRUSLSA-N 1 0 383.470 0.326 50 0 GCAARO NC(=O)C1CC[NH+](CCCNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)CC1 ZINC000534651638 570914107 /nfs/dbraw/zinc/91/41/07/570914107.db2.gz LQYZKYRTTDUNCH-INIZCTEOSA-N 1 0 376.505 0.892 50 0 GCAARO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000237495799 570943811 /nfs/dbraw/zinc/94/38/11/570943811.db2.gz JULCHHIKYZEZQG-IRXDYDNUSA-N 1 0 394.541 0.785 50 0 GCAARO C[NH+](C)[C@H](CNC(=O)c1nc(CC(=O)N2CCOCC2)no1)c1ccccc1 ZINC000044893940 570981494 /nfs/dbraw/zinc/98/14/94/570981494.db2.gz XYXDOPFGAJEVQH-OAHLLOKOSA-N 1 0 387.440 0.504 50 0 GCAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3nc4cnccn4c3=O)CC2)cc1 ZINC000252536401 570991082 /nfs/dbraw/zinc/99/10/82/570991082.db2.gz ILZUVJGLKHJWBD-UHFFFAOYSA-N 1 0 396.451 0.634 50 0 GCAARO CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000045944512 571005597 /nfs/dbraw/zinc/00/55/97/571005597.db2.gz BOYQOCGFXATFGQ-UHFFFAOYSA-N 1 0 385.486 0.536 50 0 GCAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000045944735 571005658 /nfs/dbraw/zinc/00/56/58/571005658.db2.gz AUUARNJOOFQSDM-UHFFFAOYSA-N 1 0 399.513 0.926 50 0 GCAARO CCc1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c1C ZINC000091643468 571020923 /nfs/dbraw/zinc/02/09/23/571020923.db2.gz MGDDUSIHQMSLDX-QZTJIDSGSA-N 1 0 377.533 0.377 50 0 GCAARO Cc1nc(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1C ZINC000091649716 571022784 /nfs/dbraw/zinc/02/27/84/571022784.db2.gz ICKAVYADZPBUNN-QZTJIDSGSA-N 1 0 376.549 0.842 50 0 GCAARO NC(=O)COc1cccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091747031 571029449 /nfs/dbraw/zinc/02/94/49/571029449.db2.gz ALGHSHULVIXLMV-IAGOWNOFSA-N 1 0 375.469 0.717 50 0 GCAARO CCCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n(C)n1 ZINC000091807875 571031387 /nfs/dbraw/zinc/03/13/87/571031387.db2.gz JIQMQSWOOUWXKM-IAGOWNOFSA-N 1 0 377.533 0.691 50 0 GCAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000092098829 571044786 /nfs/dbraw/zinc/04/47/86/571044786.db2.gz TVPNGVNQKFVBBB-MRXNPFEDSA-N 1 0 387.484 0.401 50 0 GCAARO Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)cn1 ZINC000095363042 571056338 /nfs/dbraw/zinc/05/63/38/571056338.db2.gz QMMIRPKWYYBXNW-UHFFFAOYSA-N 1 0 377.470 0.380 50 0 GCAARO Cc1nc(C2CCN(C(=O)[C@H]3C[NH2+]C[C@H](C(=O)N4CCCC4)C3)CC2)no1 ZINC000095365562 571058061 /nfs/dbraw/zinc/05/80/61/571058061.db2.gz VEIUOYXIXNVCJN-HZPDHXFCSA-N 1 0 375.473 0.932 50 0 GCAARO CN1CC[NH+](C[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@@H]2CO)CC1 ZINC000095378551 571065764 /nfs/dbraw/zinc/06/57/64/571065764.db2.gz JBLXUZAWDQWSHW-QZTJIDSGSA-N 1 0 383.496 0.800 50 0 GCAARO C[N@@H+]1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 ZINC000095381421 571067567 /nfs/dbraw/zinc/06/75/67/571067567.db2.gz RHJUMESVPHSNKD-LJQANCHMSA-N 1 0 383.456 0.153 50 0 GCAARO C[N@@H+]1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@]12CCNC(=O)CC2 ZINC000095381420 571067663 /nfs/dbraw/zinc/06/76/63/571067663.db2.gz RHJUMESVPHSNKD-IBGZPJMESA-N 1 0 383.456 0.153 50 0 GCAARO CCN1CC[NH+](C[C@@H]2CN(c3nc4ccccc4n3CCO)C[C@@H]2CO)CC1 ZINC000095390394 571072287 /nfs/dbraw/zinc/07/22/87/571072287.db2.gz MDHDFYHIJHMEHW-QZTJIDSGSA-N 1 0 387.528 0.711 50 0 GCAARO C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000169781327 639629341 /nfs/dbraw/zinc/62/93/41/639629341.db2.gz ZEAXXVZCAAYTRB-IAQYHMDHSA-N 1 0 391.896 0.959 50 0 GCAARO CNC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](CCOC)C2)cs1 ZINC000952973576 642059805 /nfs/dbraw/zinc/05/98/05/642059805.db2.gz UUPFYBYAFWZGOM-LBPRGKRZSA-N 1 0 375.516 0.697 50 0 GCAARO CNC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](CCOC)C2)cs1 ZINC000952973547 642059897 /nfs/dbraw/zinc/05/98/97/642059897.db2.gz UUPFYBYAFWZGOM-GFCCVEGCSA-N 1 0 375.516 0.697 50 0 GCAARO C[NH+](C)C[C@]1(CO)CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000952990198 642060326 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