smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC(=O)c1cn(CC[NH2+]CCO)c(=O)[nH]c1=O)OCc1ccccc1 ZINC000001617939 212250427 /nfs/dbraw/zinc/25/04/27/212250427.db2.gz UFVKJRZLPWTALB-UHFFFAOYSA-N 1 0 376.369 -0.815 50 0 GBAARO Cn1c2ncn(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c(=O)n(C)c1=O ZINC000002091085 570940002 /nfs/dbraw/zinc/94/00/02/570940002.db2.gz RGFYJVPOOIFGSG-OLZOCXBDSA-N 1 0 382.424 -0.328 50 0 biogenic GBAARO Cn1c2nc(N3CC[NH2+]CC3)n(C[C@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000002701984 206429823 /nfs/dbraw/zinc/42/98/23/206429823.db2.gz APVZZUCDHIVCBK-AWEZNQCLSA-N 1 0 384.440 -0.423 50 0 GBAARO Cn1c2nc(N3CC[NH2+]CC3)n(C[C@@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000002701986 570505516 /nfs/dbraw/zinc/50/55/16/570505516.db2.gz APVZZUCDHIVCBK-CQSZACIVSA-N 1 0 384.440 -0.423 50 0 GBAARO Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H]1O ZINC000003827162 530072861 /nfs/dbraw/zinc/07/28/61/530072861.db2.gz NSXJHIFQIZKLGF-LWIVVEGESA-N 1 0 375.170 -0.388 50 0 investigational GBAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000004328824 570573538 /nfs/dbraw/zinc/57/35/38/570573538.db2.gz FZMVYQDOZZZIAM-OAHLLOKOSA-N 1 0 398.485 -0.782 50 0 GBAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000004328827 220706633 /nfs/dbraw/zinc/70/66/33/220706633.db2.gz FZMVYQDOZZZIAM-HNNXBMFYSA-N 1 0 398.485 -0.782 50 0 GBAARO CC[NH+](CC)CCOC(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000004336475 570369509 /nfs/dbraw/zinc/36/95/09/570369509.db2.gz LIVMDPJVEVUASE-UYTYNIKBSA-N 1 0 398.456 -0.603 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000004337234 570672312 /nfs/dbraw/zinc/67/23/12/570672312.db2.gz ATPCTSGUYMWDDC-OAHLLOKOSA-N 1 0 392.412 -0.992 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000004337240 570672048 /nfs/dbraw/zinc/67/20/48/570672048.db2.gz ATPCTSGUYMWDDC-HNNXBMFYSA-N 1 0 392.412 -0.992 50 0 GBAARO Cc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000004337409 570672727 /nfs/dbraw/zinc/67/27/27/570672727.db2.gz YQGUKWWCDHQCFR-OAHLLOKOSA-N 1 0 398.485 -0.864 50 0 GBAARO Cc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000004337415 211543885 /nfs/dbraw/zinc/54/38/85/211543885.db2.gz YQGUKWWCDHQCFR-HNNXBMFYSA-N 1 0 398.485 -0.864 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000004357266 570696975 /nfs/dbraw/zinc/69/69/75/570696975.db2.gz FIXFJKQVWAJPTC-OAHLLOKOSA-N 1 0 398.485 -0.782 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000004357269 570696852 /nfs/dbraw/zinc/69/68/52/570696852.db2.gz FIXFJKQVWAJPTC-HNNXBMFYSA-N 1 0 398.485 -0.782 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000004554410 204053439 /nfs/dbraw/zinc/05/34/39/204053439.db2.gz LHASHVDVMDQTPR-HNNXBMFYSA-N 1 0 392.456 -0.417 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000004554412 204052879 /nfs/dbraw/zinc/05/28/79/204052879.db2.gz LHASHVDVMDQTPR-OAHLLOKOSA-N 1 0 392.456 -0.417 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000004569467 530076136 /nfs/dbraw/zinc/07/61/36/530076136.db2.gz LTIQLLYDSREFSX-LBPRGKRZSA-N 1 0 388.515 -0.305 50 0 GBAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000004569469 530075970 /nfs/dbraw/zinc/07/59/70/530075970.db2.gz LTIQLLYDSREFSX-GFCCVEGCSA-N 1 0 388.515 -0.305 50 0 GBAARO Cn1c2[nH]c(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)nc2c(=O)n(C)c1=O ZINC000004818596 204077886 /nfs/dbraw/zinc/07/78/86/204077886.db2.gz YSXRSYKNPWRQJP-UHFFFAOYSA-N 1 0 389.460 -0.730 50 0 GBAARO C[C@@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)C1 ZINC000005082986 570413666 /nfs/dbraw/zinc/41/36/66/570413666.db2.gz HWJSOOLREYOGKY-XQQFMLRXSA-N 1 0 379.461 -0.735 50 0 GBAARO COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000005339912 570661977 /nfs/dbraw/zinc/66/19/77/570661977.db2.gz HZUFQVULNVONAF-UHFFFAOYSA-N 1 0 384.458 -0.149 50 0 GBAARO NC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000006553652 570476576 /nfs/dbraw/zinc/47/65/76/570476576.db2.gz NDRQSDWKCAMYOC-HNNXBMFYSA-N 1 0 394.497 -0.283 50 0 GBAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000006553653 204183766 /nfs/dbraw/zinc/18/37/66/204183766.db2.gz NDRQSDWKCAMYOC-OAHLLOKOSA-N 1 0 394.497 -0.283 50 0 GBAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCC(C(N)=O)CC1 ZINC000007425507 570841816 /nfs/dbraw/zinc/84/18/16/570841816.db2.gz APNWQKYFOHCADS-UHFFFAOYSA-N 1 0 387.444 -0.510 50 0 GBAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCC(C(N)=O)CC1 ZINC000008992869 204295892 /nfs/dbraw/zinc/29/58/92/204295892.db2.gz CIGUCBMSKBJVPC-UHFFFAOYSA-N 1 0 387.444 -0.428 50 0 GBAARO Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCC[NH+](C)C ZINC000011904565 530109335 /nfs/dbraw/zinc/10/93/35/530109335.db2.gz UHBOQTDIOQZLMA-UHFFFAOYSA-N 1 0 375.472 -0.099 50 0 GBAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012275066 570631889 /nfs/dbraw/zinc/63/18/89/570631889.db2.gz PEPLAHRABJBNNJ-GFCCVEGCSA-N 1 0 380.470 0.000 50 0 GBAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012275068 204387391 /nfs/dbraw/zinc/38/73/91/204387391.db2.gz PEPLAHRABJBNNJ-LBPRGKRZSA-N 1 0 380.470 0.000 50 0 GBAARO Cn1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c(=O)n(C)c1=O ZINC000012544491 570845351 /nfs/dbraw/zinc/84/53/51/570845351.db2.gz LQTDBZNPWVLCDQ-CQSZACIVSA-N 1 0 397.395 -0.309 50 0 GBAARO Cn1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c(=O)n(C)c1=O ZINC000012544492 570845423 /nfs/dbraw/zinc/84/54/23/570845423.db2.gz LQTDBZNPWVLCDQ-AWEZNQCLSA-N 1 0 397.395 -0.309 50 0 GBAARO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C[NH+](C)C)cc1)c(=O)n2C ZINC000012603272 570887237 /nfs/dbraw/zinc/88/72/37/570887237.db2.gz NJQYYIRITLNFSP-UHFFFAOYSA-N 1 0 384.440 -0.188 50 0 GBAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COC(C)C)CC1 ZINC000013806258 210092746 /nfs/dbraw/zinc/09/27/46/210092746.db2.gz VZJMLYLSKHEAPQ-CYBMUJFWSA-N 1 0 394.476 -0.649 50 0 GBAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COC(C)C)CC1 ZINC000013806261 570791167 /nfs/dbraw/zinc/79/11/67/570791167.db2.gz VZJMLYLSKHEAPQ-ZDUSSCGKSA-N 1 0 394.476 -0.649 50 0 GBAARO Cc1ccc(OC[C@@H](O)Cn2c(NCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000013810792 221291097 /nfs/dbraw/zinc/29/10/97/221291097.db2.gz JKSVVQCXDOCRDS-LBPRGKRZSA-N 1 0 388.428 -0.458 50 0 GBAARO Cc1ccc(OC[C@H](O)Cn2c(NCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000013810793 210092286 /nfs/dbraw/zinc/09/22/86/210092286.db2.gz JKSVVQCXDOCRDS-GFCCVEGCSA-N 1 0 388.428 -0.458 50 0 GBAARO Cc1cccc(OC[C@@H](O)Cn2c(NCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000013810797 210092424 /nfs/dbraw/zinc/09/24/24/210092424.db2.gz DZSJRXKWPLGVNM-LBPRGKRZSA-N 1 0 388.428 -0.458 50 0 GBAARO Cc1cccc(OC[C@H](O)Cn2c(NCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000013810798 221290429 /nfs/dbraw/zinc/29/04/29/221290429.db2.gz DZSJRXKWPLGVNM-GFCCVEGCSA-N 1 0 388.428 -0.458 50 0 GBAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014741059 207027995 /nfs/dbraw/zinc/02/79/95/207027995.db2.gz MMQRPJXLCCWATP-UHFFFAOYSA-N 1 0 393.444 -0.162 50 0 GBAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016025256 210183669 /nfs/dbraw/zinc/18/36/69/210183669.db2.gz XJDDAAIGTJYBIO-IBWPGLOJSA-N 1 0 386.408 -0.681 50 0 GBAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016025258 207071961 /nfs/dbraw/zinc/07/19/61/207071961.db2.gz XJDDAAIGTJYBIO-WGDDSDEBSA-N 1 0 386.408 -0.681 50 0 GBAARO OCC[NH+]1CCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 ZINC000019841848 570224878 /nfs/dbraw/zinc/22/48/78/570224878.db2.gz MRYMCOGUIUFJNQ-IBGZPJMESA-N 1 0 379.501 -0.132 50 0 GBAARO OCC[NH+]1CCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 ZINC000019841852 570224553 /nfs/dbraw/zinc/22/45/53/570224553.db2.gz MRYMCOGUIUFJNQ-LJQANCHMSA-N 1 0 379.501 -0.132 50 0 GBAARO O=C(NCCN1CC[NH2+]CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000019931823 570231108 /nfs/dbraw/zinc/23/11/08/570231108.db2.gz KKTBAUMJTCLBKH-UHFFFAOYSA-N 1 0 379.442 -0.322 50 0 GBAARO O=C(Cn1nnnc1CN1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020205185 570247629 /nfs/dbraw/zinc/24/76/29/570247629.db2.gz VIJIRAATIZJZPH-QGZVFWFLSA-N 1 0 385.472 -0.104 50 0 GBAARO O=C(Cn1nnnc1CN1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020205190 207181461 /nfs/dbraw/zinc/18/14/61/207181461.db2.gz VIJIRAATIZJZPH-KRWDZBQOSA-N 1 0 385.472 -0.104 50 0 GBAARO Cn1c2ncn(C[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000020432396 570255647 /nfs/dbraw/zinc/25/56/47/570255647.db2.gz VCQBLEKEEGXEFA-INIZCTEOSA-N 1 0 398.467 -0.383 50 0 GBAARO Cn1c2ncn(C[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000020432398 207190817 /nfs/dbraw/zinc/19/08/17/207190817.db2.gz VCQBLEKEEGXEFA-MRXNPFEDSA-N 1 0 398.467 -0.383 50 0 GBAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000020567306 207202020 /nfs/dbraw/zinc/20/20/20/207202020.db2.gz XJDDAAIGTJYBIO-NFWAQSGPSA-N 1 0 386.408 -0.681 50 0 GBAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000020567307 207202264 /nfs/dbraw/zinc/20/22/64/207202264.db2.gz XJDDAAIGTJYBIO-OUFKLWKOSA-N 1 0 386.408 -0.681 50 0 GBAARO CC1=NN(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000020713657 210355266 /nfs/dbraw/zinc/35/52/66/210355266.db2.gz SAKHRRDJNYJSEQ-CYBMUJFWSA-N 1 0 388.476 -0.562 50 0 GBAARO CC1=NN(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000020713661 210356411 /nfs/dbraw/zinc/35/64/11/210356411.db2.gz SAKHRRDJNYJSEQ-ZDUSSCGKSA-N 1 0 388.476 -0.562 50 0 GBAARO CN(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000020818927 207214661 /nfs/dbraw/zinc/21/46/61/207214661.db2.gz QXHAAHKDBDPNPQ-UHFFFAOYSA-N 1 0 375.539 -0.742 50 0 GBAARO CC1=C(C(=O)NCC[NH+]2CCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887564 207241244 /nfs/dbraw/zinc/24/12/44/207241244.db2.gz QWBOARFZQCRURX-UHFFFAOYSA-N 1 0 385.486 -0.134 50 0 biogenic GBAARO O=S(=O)(c1ccc(OC[C@H](O)CN2CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000022036422 204772447 /nfs/dbraw/zinc/77/24/47/204772447.db2.gz JCFCTBTYGDZBGR-OAHLLOKOSA-N 1 0 385.486 -0.648 50 0 GBAARO O=S(=O)(c1ccc(OC[C@@H](O)CN2CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000022036426 204773023 /nfs/dbraw/zinc/77/30/23/204773023.db2.gz JCFCTBTYGDZBGR-HNNXBMFYSA-N 1 0 385.486 -0.648 50 0 GBAARO Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000022610833 570913837 /nfs/dbraw/zinc/91/38/37/570913837.db2.gz DEHFXCAXHIYYHO-UHFFFAOYSA-N 1 0 378.454 -0.410 50 0 GBAARO COCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CC[NH+](C)CC1 ZINC000022795207 570548585 /nfs/dbraw/zinc/54/85/85/570548585.db2.gz DIYJJFWVMYYPNT-KRWDZBQOSA-N 1 0 378.473 -0.138 50 0 GBAARO COCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CC[NH+](C)CC1 ZINC000022795219 570548610 /nfs/dbraw/zinc/54/86/10/570548610.db2.gz DIYJJFWVMYYPNT-QGZVFWFLSA-N 1 0 378.473 -0.138 50 0 GBAARO CCOCCn1c(CN2CC[NH+](CC)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022923835 570336002 /nfs/dbraw/zinc/33/60/02/570336002.db2.gz ZVRGVYNNVSRCHX-UHFFFAOYSA-N 1 0 378.477 -0.392 50 0 GBAARO CC(C)NC(=O)CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000022935281 570338330 /nfs/dbraw/zinc/33/83/30/570338330.db2.gz NFUFXEWRJINBHT-UHFFFAOYSA-N 1 0 380.493 -0.898 50 0 GBAARO CC[NH+](CC)CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000023111060 207268764 /nfs/dbraw/zinc/26/87/64/207268764.db2.gz VZOSHQBYJBOKLJ-UHFFFAOYSA-N 1 0 382.486 -0.121 50 0 GBAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000023114375 570344509 /nfs/dbraw/zinc/34/45/09/570344509.db2.gz HGERHPYFIGSUNH-ZDUSSCGKSA-N 1 0 389.456 -0.281 50 0 GBAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000023114376 207268886 /nfs/dbraw/zinc/26/88/86/207268886.db2.gz HGERHPYFIGSUNH-CYBMUJFWSA-N 1 0 389.456 -0.281 50 0 GBAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)CC1 ZINC000023116760 570344490 /nfs/dbraw/zinc/34/44/90/570344490.db2.gz NPYPLTOSBXAZJH-KRWDZBQOSA-N 1 0 387.484 -0.020 50 0 GBAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)CC1 ZINC000023116761 207270809 /nfs/dbraw/zinc/27/08/09/207270809.db2.gz NPYPLTOSBXAZJH-QGZVFWFLSA-N 1 0 387.484 -0.020 50 0 GBAARO Cn1ncc2c1ncn(CC(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)c2=O ZINC000025052411 570404402 /nfs/dbraw/zinc/40/44/02/570404402.db2.gz OCKXBJYJXASYRC-UHFFFAOYSA-N 1 0 396.455 -0.407 50 0 GBAARO O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000026711677 207317735 /nfs/dbraw/zinc/31/77/35/207317735.db2.gz RKDZKDSJKDEXIM-MRXNPFEDSA-N 1 0 387.477 -0.175 50 0 GBAARO O=S1(=O)CC[C@@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC000028218663 210522285 /nfs/dbraw/zinc/52/22/85/210522285.db2.gz SPBIJNYPKPVSDV-GFCCVEGCSA-N 1 0 384.462 -0.856 50 0 GBAARO O=S1(=O)CC[C@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC000028218667 570452573 /nfs/dbraw/zinc/45/25/73/570452573.db2.gz SPBIJNYPKPVSDV-LBPRGKRZSA-N 1 0 384.462 -0.856 50 0 GBAARO COCCn1nnc2cc(S(=O)(=O)N(C)CC(=O)NCC[NH+](C)C)ccc21 ZINC000033024014 570652681 /nfs/dbraw/zinc/65/26/81/570652681.db2.gz JPIUDZUDODDYTB-UHFFFAOYSA-N 1 0 398.489 -0.624 50 0 GBAARO CCn1c(=O)c2c(C(=O)NCC[NH+]3CCCC3)cc(=O)n(CC)c2n(C)c1=O ZINC000035422348 570354370 /nfs/dbraw/zinc/35/43/70/570354370.db2.gz DYUUQGPNWHRSQD-UHFFFAOYSA-N 1 0 389.456 -0.273 50 0 GBAARO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000036081878 530082094 /nfs/dbraw/zinc/08/20/94/530082094.db2.gz ZMBJVSYVZQPLRD-UHFFFAOYSA-N 1 0 387.483 -0.002 50 0 GBAARO Cn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C ZINC000036693384 570791862 /nfs/dbraw/zinc/79/18/62/570791862.db2.gz HFBYSPHVBYYPRJ-UHFFFAOYSA-N 1 0 382.424 -0.274 50 0 GBAARO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000044892704 570980811 /nfs/dbraw/zinc/98/08/11/570980811.db2.gz JGZMKASGSFPVET-UHFFFAOYSA-N 1 0 386.460 -0.337 50 0 GBAARO CN1C(=O)COc2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc21 ZINC000044917561 570983115 /nfs/dbraw/zinc/98/31/15/570983115.db2.gz SUSRMRDCENKYTH-UHFFFAOYSA-N 1 0 389.456 -0.266 50 0 GBAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000044919783 205091715 /nfs/dbraw/zinc/09/17/15/205091715.db2.gz YKDJWRCLVYCOET-UHFFFAOYSA-N 1 0 384.440 -0.389 50 0 GBAARO CCS(=O)(=O)N(CCCN1CCOCC1)CCC(=O)N1CC[NH2+]CC1 ZINC000045944201 205100746 /nfs/dbraw/zinc/10/07/46/205100746.db2.gz IOHVFRVRXQGJSR-UHFFFAOYSA-N 1 0 376.523 -0.818 50 0 GBAARO Cn1c2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000050148627 205129909 /nfs/dbraw/zinc/12/99/09/205129909.db2.gz YWFMSEMYOSXUSV-UHFFFAOYSA-N 1 0 388.472 -0.431 50 0 GBAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCO)c2c(=O)[nH]c1=O ZINC000057105524 222028545 /nfs/dbraw/zinc/02/85/45/222028545.db2.gz CKUNELWUCYCSRP-UHFFFAOYSA-N 1 0 384.440 -0.262 50 0 GBAARO O=C(CCn1cc[nH]c(=O)c1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000058292041 222047694 /nfs/dbraw/zinc/04/76/94/222047694.db2.gz CHZUQAIEFWSWOA-UHFFFAOYSA-N 1 0 385.468 -0.139 50 0 GBAARO C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCN1CCCS(=O)(=O)N(C)C ZINC000058355951 205173104 /nfs/dbraw/zinc/17/31/04/205173104.db2.gz UITIGBIZKOEAJL-OAHLLOKOSA-N 1 0 398.595 -0.445 50 0 GBAARO C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCN1CCCS(=O)(=O)N(C)C ZINC000058355953 530086909 /nfs/dbraw/zinc/08/69/09/530086909.db2.gz UITIGBIZKOEAJL-HNNXBMFYSA-N 1 0 398.595 -0.445 50 0 GBAARO C[NH+]1CCN(CCNC(=O)c2cc(=O)nc3sc(N4CCCC4)nn32)CC1 ZINC000064837030 570559840 /nfs/dbraw/zinc/55/98/40/570559840.db2.gz HPATVSCKIGGIHS-UHFFFAOYSA-N 1 0 391.501 -0.272 50 0 GBAARO Cn1c2sc(C(=O)NCCCN3CC[NH+](C)CC3)cc2c(=O)n(C)c1=O ZINC000064950299 222089489 /nfs/dbraw/zinc/08/94/89/222089489.db2.gz AHAAYIVAZXZARH-UHFFFAOYSA-N 1 0 379.486 -0.334 50 0 GBAARO COC(=O)c1sccc1NC(=O)CCN1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000065393770 530089625 /nfs/dbraw/zinc/08/96/25/530089625.db2.gz CNQMENDIRAMRBH-NWDGAFQWSA-N 1 0 387.483 -0.066 50 0 GBAARO COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000065393805 570764774 /nfs/dbraw/zinc/76/47/74/570764774.db2.gz DKOKFESCQZLKST-VQIMIIECSA-N 1 0 375.473 -0.184 50 0 GBAARO COC(=O)c1ccc(NC(=O)CCN2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000065397677 222127740 /nfs/dbraw/zinc/12/77/40/222127740.db2.gz SLDPSPUBEVJZDJ-LSDHHAIUSA-N 1 0 381.454 -0.127 50 0 GBAARO CS(=O)(=O)N1CCO[C@H](Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065494607 210997036 /nfs/dbraw/zinc/99/70/36/210997036.db2.gz MIKZIUDBNTUKTM-SNVBAGLBSA-N 1 0 384.483 -0.236 50 0 GBAARO CS(=O)(=O)N1CCO[C@@H](Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065494611 222131222 /nfs/dbraw/zinc/13/12/22/222131222.db2.gz MIKZIUDBNTUKTM-JTQLQIEISA-N 1 0 384.483 -0.236 50 0 GBAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000066343927 136164445 /nfs/dbraw/zinc/16/44/45/136164445.db2.gz KYLLCNJCZNBTNF-HNNXBMFYSA-N 1 0 381.502 -0.126 50 0 GBAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000066343930 136164411 /nfs/dbraw/zinc/16/44/11/136164411.db2.gz KYLLCNJCZNBTNF-OAHLLOKOSA-N 1 0 381.502 -0.126 50 0 GBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3cc(C)ccc3F)nn2)C[NH2+]1 ZINC000067515397 222148561 /nfs/dbraw/zinc/14/85/61/222148561.db2.gz MWASPSWJWRCLEI-JSGCOSHPSA-N 1 0 396.448 -0.147 50 0 GBAARO COc1cccc(CN2CCC[C@](O)(C[NH+]3CCN(CC(N)=O)CC3)C2=O)c1 ZINC000067713946 211017901 /nfs/dbraw/zinc/01/79/01/211017901.db2.gz FBWHTXVTABZMLL-FQEVSTJZSA-N 1 0 390.484 -0.348 50 0 GBAARO COc1cccc(CN2CCC[C@@](O)(C[NH+]3CCN(CC(N)=O)CC3)C2=O)c1 ZINC000067713947 211016488 /nfs/dbraw/zinc/01/64/88/211016488.db2.gz FBWHTXVTABZMLL-HXUWFJFHSA-N 1 0 390.484 -0.348 50 0 GBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3ccc(C)cc3F)nn2)C[NH2+]1 ZINC000067714109 222156207 /nfs/dbraw/zinc/15/62/07/222156207.db2.gz JGWXDXSLMVVNRY-JSGCOSHPSA-N 1 0 396.448 -0.147 50 0 GBAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000067724830 570788535 /nfs/dbraw/zinc/78/85/35/570788535.db2.gz VRSYQWSLYDATBC-CYBMUJFWSA-N 1 0 389.460 -0.271 50 0 GBAARO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000067724832 222156260 /nfs/dbraw/zinc/15/62/60/222156260.db2.gz VRSYQWSLYDATBC-ZDUSSCGKSA-N 1 0 389.460 -0.271 50 0 GBAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)N3CCCCC3)nn2)C[NH2+]1 ZINC000067725936 211018685 /nfs/dbraw/zinc/01/86/85/211018685.db2.gz DMVFEIIUSMFVEV-KGLIPLIRSA-N 1 0 385.494 -0.863 50 0 GBAARO CCn1c([C@@H]2CCCN(C(=O)c3cc(N)n[nH]3)C2)nn(CC[NH+](C)C)c1=O ZINC000067726625 205255963 /nfs/dbraw/zinc/25/59/63/205255963.db2.gz DKCAXZOWJDPIBW-GFCCVEGCSA-N 1 0 376.465 -0.049 50 0 GBAARO CCn1c([C@H]2CCCN(C(=O)c3cc(N)n[nH]3)C2)nn(CC[NH+](C)C)c1=O ZINC000067726628 570788385 /nfs/dbraw/zinc/78/83/85/570788385.db2.gz DKCAXZOWJDPIBW-LBPRGKRZSA-N 1 0 376.465 -0.049 50 0 GBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(C)cc3)nn2)C[NH2+]1 ZINC000067786929 570791307 /nfs/dbraw/zinc/79/13/07/570791307.db2.gz LUBJDWJRGNMAHW-HIFRSBDPSA-N 1 0 378.458 -0.286 50 0 GBAARO CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)N3CCCC3)nn2)C[NH2+]1 ZINC000067818086 211023099 /nfs/dbraw/zinc/02/30/99/211023099.db2.gz KGMOCTQYEPAVEV-KGLIPLIRSA-N 1 0 385.494 -0.864 50 0 GBAARO Cc1cn(CC(=O)N[C@@H](c2nnc3n2CC[NH2+]CC3)C(C)C)c(=O)[nH]c1=O ZINC000067850220 222163519 /nfs/dbraw/zinc/16/35/19/222163519.db2.gz QYKFIDMBFLAYQC-CQSZACIVSA-N 1 0 375.433 -0.904 50 0 GBAARO Cc1cn(CC(=O)N[C@H](c2nnc3n2CC[NH2+]CC3)C(C)C)c(=O)[nH]c1=O ZINC000067850222 570794222 /nfs/dbraw/zinc/79/42/22/570794222.db2.gz QYKFIDMBFLAYQC-AWEZNQCLSA-N 1 0 375.433 -0.904 50 0 GBAARO Cn1nc2n(c1=O)C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000067867646 570795232 /nfs/dbraw/zinc/79/52/32/570795232.db2.gz YOPFAVCMPPIJDM-HNNXBMFYSA-N 1 0 385.472 -0.393 50 0 GBAARO Cn1nc2n(c1=O)C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)CC2 ZINC000067867648 211027831 /nfs/dbraw/zinc/02/78/31/211027831.db2.gz YOPFAVCMPPIJDM-OAHLLOKOSA-N 1 0 385.472 -0.393 50 0 GBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3ccc(F)cc3C)nn2)C[NH2+]1 ZINC000067872528 211026652 /nfs/dbraw/zinc/02/66/52/211026652.db2.gz WOEGYMBVNRMMOQ-KBPBESRZSA-N 1 0 396.448 -0.147 50 0 GBAARO O=C(CCc1ccccc1)N[C@H]1C[NH2+][C@H](C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000067878505 205266098 /nfs/dbraw/zinc/26/60/98/205266098.db2.gz OXQDDHWMQGYBDE-CVEARBPZSA-N 1 0 379.482 -0.277 50 0 GBAARO CN(C[C@H](O)CO)c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067894032 570796093 /nfs/dbraw/zinc/79/60/93/570796093.db2.gz QSCJLOGPIHZSTC-KRWDZBQOSA-N 1 0 378.473 -0.192 50 0 GBAARO CN(C[C@@H](O)CO)c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067894033 205267246 /nfs/dbraw/zinc/26/72/46/205267246.db2.gz QSCJLOGPIHZSTC-QGZVFWFLSA-N 1 0 378.473 -0.192 50 0 GBAARO CCNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)N3CCN(C)CC3)nn2)C[NH2+]1 ZINC000067894531 205267348 /nfs/dbraw/zinc/26/73/48/205267348.db2.gz KAKKHXZYVSFBMJ-GJZGRUSLSA-N 1 0 378.481 -0.884 50 0 GBAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2sc3c(c2C(=O)[O-])CC[NH2+]C3)C1 ZINC000067908854 211028814 /nfs/dbraw/zinc/02/88/14/211028814.db2.gz UZFHVJLIWQJKLD-ZJUUUORDSA-N 1 0 389.499 -0.223 50 0 GBAARO CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H]3C1=O ZINC000067954561 205268348 /nfs/dbraw/zinc/26/83/48/205268348.db2.gz RJACDGKPUZTGEU-OPOADAIRSA-N 1 0 397.479 -0.139 50 0 GBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3ccc(C)cc3)nn2)C[NH2+]1 ZINC000067965024 570798280 /nfs/dbraw/zinc/79/82/80/570798280.db2.gz LUBJDWJRGNMAHW-ZFWWWQNUSA-N 1 0 378.458 -0.286 50 0 GBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(C)cc3F)nn2)C[NH2+]1 ZINC000067973831 570798950 /nfs/dbraw/zinc/79/89/50/570798950.db2.gz JGWXDXSLMVVNRY-OCCSQVGLSA-N 1 0 396.448 -0.147 50 0 GBAARO CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)N3CCN(C)CC3)nn2)C[NH2+]1 ZINC000067973871 205269755 /nfs/dbraw/zinc/26/97/55/205269755.db2.gz KAKKHXZYVSFBMJ-CABCVRRESA-N 1 0 378.481 -0.884 50 0 GBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(F)cc3C)nn2)C[NH2+]1 ZINC000067974404 222170003 /nfs/dbraw/zinc/17/00/03/222170003.db2.gz WOEGYMBVNRMMOQ-KGLIPLIRSA-N 1 0 396.448 -0.147 50 0 GBAARO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1CNC(=O)[C@@H]([NH3+])CO ZINC000071388661 222183463 /nfs/dbraw/zinc/18/34/63/222183463.db2.gz RJKLZYGJWGNZFL-HNNXBMFYSA-N 1 0 385.424 -0.381 50 0 GBAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000071404155 570832928 /nfs/dbraw/zinc/83/29/28/570832928.db2.gz PSBKGFUWPHCVAC-CQSZACIVSA-N 1 0 379.465 -0.861 50 0 GBAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000071404156 207937953 /nfs/dbraw/zinc/93/79/53/207937953.db2.gz PSBKGFUWPHCVAC-AWEZNQCLSA-N 1 0 379.465 -0.861 50 0 GBAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC000071479668 205285361 /nfs/dbraw/zinc/28/53/61/205285361.db2.gz OTTKGEYAKYAOGU-OAHLLOKOSA-N 1 0 378.477 -0.256 50 0 GBAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC000071479669 570837938 /nfs/dbraw/zinc/83/79/38/570837938.db2.gz OTTKGEYAKYAOGU-HNNXBMFYSA-N 1 0 378.477 -0.256 50 0 GBAARO O=C(Cn1ncnn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071479716 211048900 /nfs/dbraw/zinc/04/89/00/211048900.db2.gz AOSRZKGXPMBZBS-HNNXBMFYSA-N 1 0 375.477 -0.002 50 0 GBAARO O=C(Cn1ncnn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071479717 205286279 /nfs/dbraw/zinc/28/62/79/205286279.db2.gz AOSRZKGXPMBZBS-OAHLLOKOSA-N 1 0 375.477 -0.002 50 0 GBAARO CN(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071747143 205290235 /nfs/dbraw/zinc/29/02/35/205290235.db2.gz RSNXFAPURUQOIY-HNNXBMFYSA-N 1 0 388.534 -0.172 50 0 GBAARO CN(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071747144 570845130 /nfs/dbraw/zinc/84/51/30/570845130.db2.gz RSNXFAPURUQOIY-OAHLLOKOSA-N 1 0 388.534 -0.172 50 0 GBAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000071750247 205289233 /nfs/dbraw/zinc/28/92/33/205289233.db2.gz YINQCHWFAZLJGS-CQSZACIVSA-N 1 0 379.465 -0.861 50 0 GBAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000071750248 211054967 /nfs/dbraw/zinc/05/49/67/211054967.db2.gz YINQCHWFAZLJGS-AWEZNQCLSA-N 1 0 379.465 -0.861 50 0 GBAARO O=C(Cn1cnnn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071759143 207953266 /nfs/dbraw/zinc/95/32/66/207953266.db2.gz XMHXBWURXPZKDY-HNNXBMFYSA-N 1 0 375.477 -0.002 50 0 GBAARO O=C(Cn1cnnn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071759144 570849009 /nfs/dbraw/zinc/84/90/09/570849009.db2.gz XMHXBWURXPZKDY-OAHLLOKOSA-N 1 0 375.477 -0.002 50 0 GBAARO O=C(c1nc[nH]n1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071760382 211058240 /nfs/dbraw/zinc/05/82/40/211058240.db2.gz OOBVFNAGYMQJJA-AWEZNQCLSA-N 1 0 376.461 -0.020 50 0 GBAARO O=C(c1nc[nH]n1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071760383 205293073 /nfs/dbraw/zinc/29/30/73/205293073.db2.gz OOBVFNAGYMQJJA-CQSZACIVSA-N 1 0 376.461 -0.020 50 0 GBAARO CC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071763205 205294628 /nfs/dbraw/zinc/29/46/28/205294628.db2.gz MWSGALDYKHEJII-KRWDZBQOSA-N 1 0 393.532 -0.401 50 0 GBAARO CC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071763206 570849972 /nfs/dbraw/zinc/84/99/72/570849972.db2.gz MWSGALDYKHEJII-QGZVFWFLSA-N 1 0 393.532 -0.401 50 0 GBAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000071765566 570851598 /nfs/dbraw/zinc/85/15/98/570851598.db2.gz DRCXGFJWIHOVIJ-OAHLLOKOSA-N 1 0 393.492 -0.471 50 0 GBAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000071765567 222195606 /nfs/dbraw/zinc/19/56/06/222195606.db2.gz DRCXGFJWIHOVIJ-HNNXBMFYSA-N 1 0 393.492 -0.471 50 0 GBAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771480 570852539 /nfs/dbraw/zinc/85/25/39/570852539.db2.gz CYKAFCNARCQIAL-MRXNPFEDSA-N 1 0 393.532 -0.271 50 0 GBAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771481 570852681 /nfs/dbraw/zinc/85/26/81/570852681.db2.gz CYKAFCNARCQIAL-INIZCTEOSA-N 1 0 393.532 -0.271 50 0 GBAARO Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)c1=O ZINC000072144648 211074823 /nfs/dbraw/zinc/07/48/23/211074823.db2.gz DUWDOIRQJWLFFL-SJORKVTESA-N 1 0 384.436 -0.449 50 0 GBAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]nc3-n3cnnn3)CC2)[C@H]1O ZINC000072162258 570875546 /nfs/dbraw/zinc/87/55/46/570875546.db2.gz MWBXHYRDIZIFSG-CABCVRRESA-N 1 0 380.412 -0.066 50 0 GBAARO NC(=O)NC(=O)CCN1CC[N@H+](CCC(=O)NC(N)=O)CC12CCCCC2 ZINC000072308694 222223388 /nfs/dbraw/zinc/22/33/88/222223388.db2.gz QSELHOVUZVLUQB-UHFFFAOYSA-N 1 0 382.465 -0.523 50 0 GBAARO Cn1c2ccccc2nc1N1CC[NH+](C[C@H](O)CN2CCN(C=O)CC2)CC1 ZINC000072402993 222254405 /nfs/dbraw/zinc/25/44/05/222254405.db2.gz PVEAOXLDWMMICQ-QGZVFWFLSA-N 1 0 386.500 -0.170 50 0 GBAARO Cn1c2ccccc2nc1N1CC[NH+](C[C@@H](O)CN2CCN(C=O)CC2)CC1 ZINC000072402994 222253741 /nfs/dbraw/zinc/25/37/41/222253741.db2.gz PVEAOXLDWMMICQ-KRWDZBQOSA-N 1 0 386.500 -0.170 50 0 GBAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072410896 222255399 /nfs/dbraw/zinc/25/53/99/222255399.db2.gz UEXWIPOGBVFGNJ-GOSISDBHSA-N 1 0 377.445 -0.118 50 0 GBAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072410897 222254704 /nfs/dbraw/zinc/25/47/04/222254704.db2.gz UEXWIPOGBVFGNJ-SFHVURJKSA-N 1 0 377.445 -0.118 50 0 GBAARO COCc1noc(C[C@@H]2CN(C(=O)CCc3cc4n(n3)CC[NH2+]C4)CCO2)n1 ZINC000072417804 205346323 /nfs/dbraw/zinc/34/63/23/205346323.db2.gz QQRMAZNPBLXQLC-OAHLLOKOSA-N 1 0 390.444 -0.082 50 0 GBAARO COCc1noc(C[C@H]2CN(C(=O)CCc3cc4n(n3)CC[NH2+]C4)CCO2)n1 ZINC000072417805 222256933 /nfs/dbraw/zinc/25/69/33/222256933.db2.gz QQRMAZNPBLXQLC-HNNXBMFYSA-N 1 0 390.444 -0.082 50 0 GBAARO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]2CCO)CC1 ZINC000072419832 211115905 /nfs/dbraw/zinc/11/59/05/211115905.db2.gz WKZLGQVSBFYZCU-HNNXBMFYSA-N 1 0 393.488 -0.143 50 0 GBAARO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@H]2CCO)CC1 ZINC000072419833 222257197 /nfs/dbraw/zinc/25/71/97/222257197.db2.gz WKZLGQVSBFYZCU-OAHLLOKOSA-N 1 0 393.488 -0.143 50 0 GBAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000072422872 208022686 /nfs/dbraw/zinc/02/26/86/208022686.db2.gz WGQMZOAJDYPIHP-ROUUACIJSA-N 1 0 377.489 -0.397 50 0 GBAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)CNC(N)=O)CC3)OC2=O)CC1 ZINC000072432638 205350371 /nfs/dbraw/zinc/35/03/71/205350371.db2.gz BDORAWSLJWGGRR-UHFFFAOYSA-N 1 0 396.492 -0.894 50 0 GBAARO C[NH+]1CCN(c2ccc(N3CCN(C(=O)COc4ncccn4)CC3)nn2)CC1 ZINC000072437388 536422154 /nfs/dbraw/zinc/42/21/54/536422154.db2.gz DGEODIIXNONWLT-UHFFFAOYSA-N 1 0 398.471 -0.254 50 0 GBAARO COCCNc1nc2c(c(N3CCC(NS(C)(=O)=O)CC3)n1)CC[NH2+]CC2 ZINC000072478088 536896534 /nfs/dbraw/zinc/89/65/34/536896534.db2.gz UZWASLNSQPANMT-UHFFFAOYSA-N 1 0 398.533 -0.259 50 0 GBAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000072481182 222266858 /nfs/dbraw/zinc/26/68/58/222266858.db2.gz AAUPGSXJLRPSJC-OAHLLOKOSA-N 1 0 375.481 -0.097 50 0 GBAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000072481183 211124196 /nfs/dbraw/zinc/12/41/96/211124196.db2.gz AAUPGSXJLRPSJC-HNNXBMFYSA-N 1 0 375.481 -0.097 50 0 GBAARO C[N@@H+]1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1(C)C ZINC000077298753 136171895 /nfs/dbraw/zinc/17/18/95/136171895.db2.gz SVUJCFALZFGVRE-UONOGXRCSA-N 1 0 380.518 -0.418 50 0 GBAARO CS(=O)(=O)c1ccc(N2CCN(C[C@]3(O)C[NH2+]CCOC3)CC2)c(F)c1 ZINC000077301127 136171972 /nfs/dbraw/zinc/17/19/72/136171972.db2.gz BMLLNCHWDNQMOL-QGZVFWFLSA-N 1 0 387.477 -0.298 50 0 GBAARO CS(=O)(=O)c1ccc(N2CCN(C[C@@]3(O)C[NH2+]CCOC3)CC2)c(F)c1 ZINC000077301132 136171864 /nfs/dbraw/zinc/17/18/64/136171864.db2.gz BMLLNCHWDNQMOL-KRWDZBQOSA-N 1 0 387.477 -0.298 50 0 GBAARO O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077323040 208038963 /nfs/dbraw/zinc/03/89/63/208038963.db2.gz IFEWOYIGTIHTER-OAHLLOKOSA-N 1 0 378.477 -0.359 50 0 GBAARO O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077323043 211130271 /nfs/dbraw/zinc/13/02/71/211130271.db2.gz IFEWOYIGTIHTER-HNNXBMFYSA-N 1 0 378.477 -0.359 50 0 GBAARO CN(CC[NH+]1CCCC1)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 ZINC000077323252 136171995 /nfs/dbraw/zinc/17/19/95/136171995.db2.gz NRIFDBYJPWQXFH-LSDHHAIUSA-N 1 0 380.518 -0.416 50 0 GBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000077323800 208039316 /nfs/dbraw/zinc/03/93/16/208039316.db2.gz SWWOWAGZKOKRDM-UHFFFAOYSA-N 1 0 389.504 -0.342 50 0 GBAARO [NH3+]CCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 ZINC000077355467 208040425 /nfs/dbraw/zinc/04/04/25/208040425.db2.gz FBVNDNHQBSPFFT-UHFFFAOYSA-N 1 0 378.458 -0.180 50 0 GBAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)OC1=O ZINC000077380567 205360964 /nfs/dbraw/zinc/36/09/64/205360964.db2.gz PBWWJSJUUMCZGC-CQSZACIVSA-N 1 0 397.476 -0.598 50 0 GBAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)OC1=O ZINC000077380570 222280016 /nfs/dbraw/zinc/28/00/16/222280016.db2.gz PBWWJSJUUMCZGC-AWEZNQCLSA-N 1 0 397.476 -0.598 50 0 GBAARO CCOC(=O)N1CCC(NC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)CC1 ZINC000077389517 222281437 /nfs/dbraw/zinc/28/14/37/222281437.db2.gz UEOLCAOVMGXGIZ-UHFFFAOYSA-N 1 0 379.465 -0.466 50 0 GBAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2c(cccc2S(=O)(=O)N2CCOCC2)C1 ZINC000077389865 205360258 /nfs/dbraw/zinc/36/02/58/205360258.db2.gz OUTNRGSWHRNJBP-WBMJQRKESA-N 1 0 383.470 -0.700 50 0 GBAARO C[C@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)c1cn2ncsc2n1 ZINC000077393815 211132256 /nfs/dbraw/zinc/13/22/56/211132256.db2.gz PHMPKMSMBWJOSA-NSHDSACASA-N 1 0 375.462 -0.222 50 0 GBAARO C[C@@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)c1cn2ncsc2n1 ZINC000077393823 205360710 /nfs/dbraw/zinc/36/07/10/205360710.db2.gz PHMPKMSMBWJOSA-LLVKDONJSA-N 1 0 375.462 -0.222 50 0 GBAARO O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077406789 208043098 /nfs/dbraw/zinc/04/30/98/208043098.db2.gz DXSRYHVGYGABLR-OAHLLOKOSA-N 1 0 375.477 -0.686 50 0 GBAARO O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077406790 222281966 /nfs/dbraw/zinc/28/19/66/222281966.db2.gz DXSRYHVGYGABLR-HNNXBMFYSA-N 1 0 375.477 -0.686 50 0 GBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000077420702 211132826 /nfs/dbraw/zinc/13/28/26/211132826.db2.gz MISGNMSIGVOCQK-WBVHZDCISA-N 1 0 376.457 -0.428 50 0 GBAARO C[NH+](C)CCN1CC2(CCN(C(=O)CCCS(N)(=O)=O)CC2)OC1=O ZINC000077420716 208044946 /nfs/dbraw/zinc/04/49/46/208044946.db2.gz BRCSMBYDTDQIOA-UHFFFAOYSA-N 1 0 376.479 -0.570 50 0 GBAARO O=C(COc1ccc2nncn2n1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077453959 208044533 /nfs/dbraw/zinc/04/45/33/208044533.db2.gz LPUWTQNDNBOLKS-KRWDZBQOSA-N 1 0 376.417 -0.811 50 0 GBAARO O=C(COc1ccc2nncn2n1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077453963 211133930 /nfs/dbraw/zinc/13/39/30/211133930.db2.gz LPUWTQNDNBOLKS-QGZVFWFLSA-N 1 0 376.417 -0.811 50 0 GBAARO CCc1cc(N2CCN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)CC2)ncn1 ZINC000077457414 136172264 /nfs/dbraw/zinc/17/22/64/136172264.db2.gz VXJPKVZEQSTTJK-UHFFFAOYSA-N 1 0 399.503 -0.502 50 0 GBAARO Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@@H]([NH3+])CO)C3)no1 ZINC000077484706 222283754 /nfs/dbraw/zinc/28/37/54/222283754.db2.gz QYPGNELPBCBAQB-INIZCTEOSA-N 1 0 394.453 -0.334 50 0 GBAARO CC[NH+]1CCN(CC(=O)N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)CC1 ZINC000077487294 211136256 /nfs/dbraw/zinc/13/62/56/211136256.db2.gz NJKCSQTUGTVNGY-NVXWUHKLSA-N 1 0 375.473 -0.589 50 0 GBAARO CN(CCC(=O)N1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1)S(C)(=O)=O ZINC000077489098 211136476 /nfs/dbraw/zinc/13/64/76/211136476.db2.gz YEILCGTWSBEZCK-UHFFFAOYSA-N 1 0 390.506 -0.357 50 0 GBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCCN(c2ncccn2)CC1 ZINC000077489250 208046253 /nfs/dbraw/zinc/04/62/53/208046253.db2.gz NWKPEQRBCCTOLC-UHFFFAOYSA-N 1 0 385.476 -0.674 50 0 GBAARO CC(C)[NH+]1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077503648 136172173 /nfs/dbraw/zinc/17/21/73/136172173.db2.gz FUJRDLQXWBLAEO-LSDHHAIUSA-N 1 0 380.518 -0.418 50 0 GBAARO CN1CC2(CCN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)CC2)OC1=O ZINC000077504309 222284998 /nfs/dbraw/zinc/28/49/98/222284998.db2.gz IKFAMHAXDQRQOV-UHFFFAOYSA-N 1 0 377.449 -0.760 50 0 GBAARO CC[N@@H+]1CCCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077504746 136172388 /nfs/dbraw/zinc/17/23/88/136172388.db2.gz LZXQCWSPACLBEI-LSDHHAIUSA-N 1 0 380.518 -0.416 50 0 GBAARO CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556078 205364931 /nfs/dbraw/zinc/36/49/31/205364931.db2.gz MAAIWUGZPCAWDD-GOSISDBHSA-N 1 0 383.500 -0.030 50 0 GBAARO CN1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556082 222285636 /nfs/dbraw/zinc/28/56/36/222285636.db2.gz MAAIWUGZPCAWDD-SFHVURJKSA-N 1 0 383.500 -0.030 50 0 GBAARO C[NH+]1CCN(c2ccccc2NC(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000079046182 1072260914 /nfs/dbraw/zinc/26/09/14/1072260914.db2.gz POKKYUVRYRZNBK-CQSZACIVSA-N 1 0 386.456 -0.387 50 0 GBAARO C[NH+]1CCN(c2ccccc2NC(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000079046193 1072261158 /nfs/dbraw/zinc/26/11/58/1072261158.db2.gz POKKYUVRYRZNBK-AWEZNQCLSA-N 1 0 386.456 -0.387 50 0 GBAARO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000079111301 1072437792 /nfs/dbraw/zinc/43/77/92/1072437792.db2.gz DBTMNQUZIOXMTJ-UHFFFAOYSA-N 1 0 394.457 -0.006 50 0 GBAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000082096634 208079861 /nfs/dbraw/zinc/07/98/61/208079861.db2.gz FIVMIYIGAVTZMT-OAHLLOKOSA-N 1 0 375.454 -0.104 50 0 GBAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000082096635 205386359 /nfs/dbraw/zinc/38/63/59/205386359.db2.gz FIVMIYIGAVTZMT-HNNXBMFYSA-N 1 0 375.454 -0.104 50 0 GBAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc4c[nH]nc4c3)C(=O)C2)C1 ZINC000082107980 136173659 /nfs/dbraw/zinc/17/36/59/136173659.db2.gz CIQMQQNGGUBTMJ-CQSZACIVSA-N 1 0 384.440 -0.065 50 0 GBAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccc4c[nH]nc4c3)C(=O)C2)C1 ZINC000082107981 136173547 /nfs/dbraw/zinc/17/35/47/136173547.db2.gz CIQMQQNGGUBTMJ-AWEZNQCLSA-N 1 0 384.440 -0.065 50 0 GBAARO Cn1c2ccc(S(=O)(=O)NCc3cc4n(n3)CC[NH2+]C4)cc2n(C)c1=O ZINC000082109391 205388032 /nfs/dbraw/zinc/38/80/32/205388032.db2.gz XGDBGDZSCRNYSV-UHFFFAOYSA-N 1 0 376.442 -0.345 50 0 GBAARO COCCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC000083253936 211163330 /nfs/dbraw/zinc/16/33/30/211163330.db2.gz YXWBFPPGROXJLL-UHFFFAOYSA-N 1 0 383.482 -0.292 50 0 GBAARO Cn1c2nc(N3CC[NH2+]CC3)n(CCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000089741538 570911120 /nfs/dbraw/zinc/91/11/20/570911120.db2.gz HLBZVSNNGXJGEX-UHFFFAOYSA-N 1 0 388.457 -0.585 50 0 GBAARO CN(CCCc1cnn(C)c1)C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091321580 208113451 /nfs/dbraw/zinc/11/34/51/208113451.db2.gz MCLXCDPIODJDRP-SJORKVTESA-N 1 0 377.489 -0.104 50 0 GBAARO CC(C)c1nc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000091321643 571003333 /nfs/dbraw/zinc/00/33/33/571003333.db2.gz ARGKWMJSVBWPHK-KGLIPLIRSA-N 1 0 379.461 -0.064 50 0 GBAARO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000091364638 571004820 /nfs/dbraw/zinc/00/48/20/571004820.db2.gz XGCFCLDCQODSGP-CQSZACIVSA-N 1 0 382.486 -0.250 50 0 GBAARO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000091364639 571004850 /nfs/dbraw/zinc/00/48/50/571004850.db2.gz XGCFCLDCQODSGP-AWEZNQCLSA-N 1 0 382.486 -0.250 50 0 GBAARO O=C(NCc1nc(-c2ncccn2)no1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000091364653 571004901 /nfs/dbraw/zinc/00/49/01/571004901.db2.gz NQPVFYQVHOQFGW-OLZOCXBDSA-N 1 0 385.428 -0.009 50 0 GBAARO CSCc1noc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000091391047 211189295 /nfs/dbraw/zinc/18/92/95/211189295.db2.gz BKUBVNZEDTXPBS-VXGBXAGGSA-N 1 0 383.474 -0.367 50 0 GBAARO CC(C)c1noc(CCNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000091416695 571006342 /nfs/dbraw/zinc/00/63/42/571006342.db2.gz CMXIXOPOCXZBFY-ZIAGYGMSSA-N 1 0 379.461 -0.064 50 0 GBAARO CN(CCCc1nccn1C)C(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091417074 571007226 /nfs/dbraw/zinc/00/72/26/571007226.db2.gz WQHYCLQYWHVRTH-HZPDHXFCSA-N 1 0 377.489 -0.104 50 0 GBAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)CCn2c(=O)[nH]c3ccccc32)C[C@@H]1CO ZINC000091425374 571007239 /nfs/dbraw/zinc/00/72/39/571007239.db2.gz OLSAYOZVUKRESN-HUUCEWRRSA-N 1 0 376.457 -0.289 50 0 GBAARO O=C([C@H]1C[NH2+]C[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1)N1CCOCC1 ZINC000091451945 136176398 /nfs/dbraw/zinc/17/63/98/136176398.db2.gz ITWMCPOTGKGQAC-HZPDHXFCSA-N 1 0 388.472 -0.790 50 0 GBAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2sccc2S(N)(=O)=O)C[C@@H]1CO ZINC000091460910 530099692 /nfs/dbraw/zinc/09/96/92/530099692.db2.gz APBDGQFXCOIXOK-GHMZBOCLSA-N 1 0 377.488 -1.000 50 0 GBAARO Cc1ncc(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)[nH]1 ZINC000091468476 571009740 /nfs/dbraw/zinc/00/97/40/571009740.db2.gz ZVYNASNMEVKRIN-DLTLXFJOSA-N 1 0 378.473 -0.203 50 0 GBAARO CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000091575211 208121481 /nfs/dbraw/zinc/12/14/81/208121481.db2.gz IVZCLQVLHVCEJQ-INIZCTEOSA-N 1 0 396.513 -0.188 50 0 GBAARO CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000091575213 208122560 /nfs/dbraw/zinc/12/25/60/208122560.db2.gz IVZCLQVLHVCEJQ-MRXNPFEDSA-N 1 0 396.513 -0.188 50 0 GBAARO Cn1c(=O)[nH]c2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)[N@H+](C)C4)cc2c1=O ZINC000091586448 571015373 /nfs/dbraw/zinc/01/53/73/571015373.db2.gz SEIVKCKGIGTTIE-VXGBXAGGSA-N 1 0 378.454 -0.059 50 0 GBAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2O)C[C@@H]1CO ZINC000091603281 208126976 /nfs/dbraw/zinc/12/69/76/208126976.db2.gz RKDAUWHLNBSFTL-ZIAGYGMSSA-N 1 0 390.444 -0.373 50 0 GBAARO CSc1ncc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)n1C ZINC000091621020 211199116 /nfs/dbraw/zinc/19/91/16/211199116.db2.gz AVJGPTQKOLALFU-CHWSQXEVSA-N 1 0 381.502 -0.157 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 ZINC000091644386 211199251 /nfs/dbraw/zinc/19/92/51/211199251.db2.gz JXXNYOCUQWGGSA-AWEZNQCLSA-N 1 0 377.445 -0.753 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000091644387 571021466 /nfs/dbraw/zinc/02/14/66/571021466.db2.gz JXXNYOCUQWGGSA-CQSZACIVSA-N 1 0 377.445 -0.753 50 0 GBAARO Cn1c(=O)cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n(C)c1=O ZINC000091645973 208128718 /nfs/dbraw/zinc/12/87/18/208128718.db2.gz AHDGWEVERNKADS-HUUCEWRRSA-N 1 0 378.473 -0.360 50 0 GBAARO CC[N@H+](C)C[C@@H]1CN(C(=O)CN2CCN(c3ncccn3)CC2)C[C@@H]1CO ZINC000091650376 136176808 /nfs/dbraw/zinc/17/68/08/136176808.db2.gz NEIDCTRQWKHNEC-IAGOWNOFSA-N 1 0 376.505 -0.383 50 0 GBAARO O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000091650401 136176949 /nfs/dbraw/zinc/17/69/49/136176949.db2.gz SPUADFOFBUXNMR-CVEARBPZSA-N 1 0 388.472 -0.790 50 0 GBAARO Nc1nnc(CCCNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000091657104 208132666 /nfs/dbraw/zinc/13/26/66/208132666.db2.gz IPNAHEYCJDRKHJ-VXGBXAGGSA-N 1 0 382.490 -0.746 50 0 GBAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@@H]1CO ZINC000091664122 136176814 /nfs/dbraw/zinc/17/68/14/136176814.db2.gz BYDAFGPAEYBMCD-HUUCEWRRSA-N 1 0 380.493 -0.482 50 0 GBAARO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000091665687 571025665 /nfs/dbraw/zinc/02/56/65/571025665.db2.gz ZGJSUHUTMVVFOE-AWEZNQCLSA-N 1 0 378.477 -0.035 50 0 GBAARO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000091665688 211203389 /nfs/dbraw/zinc/20/33/89/211203389.db2.gz ZGJSUHUTMVVFOE-CQSZACIVSA-N 1 0 378.477 -0.035 50 0 GBAARO Cn1c(=O)[nH]cc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1=O ZINC000091769997 211205844 /nfs/dbraw/zinc/20/58/44/211205844.db2.gz YFUOPAMPOKHNLC-HZPDHXFCSA-N 1 0 378.473 -0.441 50 0 GBAARO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(CC[NH+](C)C)C3)CC2)no1 ZINC000091770102 571030231 /nfs/dbraw/zinc/03/02/31/571030231.db2.gz RRTOOMRLYWNFOY-OAHLLOKOSA-N 1 0 378.477 -0.178 50 0 GBAARO Cc1nc(CN2CCN(C(=O)[C@H]3CCC(=O)N(CC[NH+](C)C)C3)CC2)no1 ZINC000091770103 571030260 /nfs/dbraw/zinc/03/02/60/571030260.db2.gz RRTOOMRLYWNFOY-HNNXBMFYSA-N 1 0 378.477 -0.178 50 0 GBAARO Cn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1=O ZINC000091781721 571030875 /nfs/dbraw/zinc/03/08/75/571030875.db2.gz BPYYYHVMPJIOOM-XJKSGUPXSA-N 1 0 376.457 -0.282 50 0 GBAARO CN(C)C(=O)N1CCn2nc(CNC(=O)CN3CC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000091793350 571031358 /nfs/dbraw/zinc/03/13/58/571031358.db2.gz ONFXNZXLEKLHIX-OAHLLOKOSA-N 1 0 377.493 -0.368 50 0 GBAARO CN(C)C(=O)N1CCn2nc(CNC(=O)CN3CC[C@H]([NH+](C)C)C3)cc2C1 ZINC000091793352 571031249 /nfs/dbraw/zinc/03/12/49/571031249.db2.gz ONFXNZXLEKLHIX-HNNXBMFYSA-N 1 0 377.493 -0.368 50 0 GBAARO CN(CCCc1cnn(C)c1)C(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091819985 208139621 /nfs/dbraw/zinc/13/96/21/208139621.db2.gz MCLXCDPIODJDRP-IAGOWNOFSA-N 1 0 377.489 -0.104 50 0 GBAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C[C@@H]1CO ZINC000091858895 211207788 /nfs/dbraw/zinc/20/77/88/211207788.db2.gz NXFLDJQIBYPNTR-HUUCEWRRSA-N 1 0 399.513 -0.099 50 0 GBAARO Cc1cn(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c(=O)[nH]c1=O ZINC000091860596 208140426 /nfs/dbraw/zinc/14/04/26/208140426.db2.gz MVAFHDRNMSFXTP-HZPDHXFCSA-N 1 0 378.473 -0.212 50 0 GBAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC000091895606 208141289 /nfs/dbraw/zinc/14/12/89/208141289.db2.gz QKFUYMOCWLMOBU-UHFFFAOYSA-N 1 0 391.472 -0.602 50 0 GBAARO [NH3+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCCn3cnnc3)cc2)C1 ZINC000091914506 211211098 /nfs/dbraw/zinc/21/10/98/211211098.db2.gz TZTLZVBJUJHRJG-AWEZNQCLSA-N 1 0 378.458 -0.180 50 0 GBAARO CC(C)c1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)nc2ncnn21 ZINC000091931861 211210543 /nfs/dbraw/zinc/21/05/43/211210543.db2.gz PATUWOIUOBVEJH-ZIAGYGMSSA-N 1 0 376.461 -0.148 50 0 GBAARO Cc1c(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)sc2[nH]cnc(=O)c12 ZINC000091943194 208143426 /nfs/dbraw/zinc/14/34/26/208143426.db2.gz UZADNIRUVYTDAP-VXGBXAGGSA-N 1 0 380.470 -0.102 50 0 GBAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CCC1=O ZINC000091974087 571038535 /nfs/dbraw/zinc/03/85/35/571038535.db2.gz VBEBAWOTFFLNPB-SFHVURJKSA-N 1 0 379.461 -0.669 50 0 GBAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CCC1=O ZINC000091974088 571038453 /nfs/dbraw/zinc/03/84/53/571038453.db2.gz VBEBAWOTFFLNPB-GOSISDBHSA-N 1 0 379.461 -0.669 50 0 GBAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C[C@@H]1CO ZINC000092003422 571040069 /nfs/dbraw/zinc/04/00/69/571040069.db2.gz JJGGVTBEUMYBAZ-HUUCEWRRSA-N 1 0 399.513 -0.363 50 0 GBAARO Cc1cc(C)n2nc(CC(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)nc2n1 ZINC000092028048 571041527 /nfs/dbraw/zinc/04/15/27/571041527.db2.gz OXUQOWYMALJFHD-HUUCEWRRSA-N 1 0 376.461 -0.725 50 0 GBAARO Cn1cnnc1CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000092097624 211216260 /nfs/dbraw/zinc/21/62/60/211216260.db2.gz BFBRRRPNJJUCEB-CYBMUJFWSA-N 1 0 378.458 -0.572 50 0 GBAARO Cn1cnnc1CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000092097626 208150311 /nfs/dbraw/zinc/15/03/11/208150311.db2.gz BFBRRRPNJJUCEB-ZDUSSCGKSA-N 1 0 378.458 -0.572 50 0 GBAARO CN(CCCc1nccn1C)C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000092099334 211217314 /nfs/dbraw/zinc/21/73/14/211217314.db2.gz WQHYCLQYWHVRTH-CVEARBPZSA-N 1 0 377.489 -0.104 50 0 GBAARO COCCCN1C(=O)N(Cc2noc(C(=O)N(C)C)n2)C(=O)C12CC[NH2+]CC2 ZINC000095352438 571050236 /nfs/dbraw/zinc/05/02/36/571050236.db2.gz NYSSNHUDAZZXPR-UHFFFAOYSA-N 1 0 394.432 -0.306 50 0 GBAARO O=C(NC[C@@H]1COCCO1)c1cccc(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000095353681 211221895 /nfs/dbraw/zinc/22/18/95/211221895.db2.gz RVIANOHJOYJYDN-OAHLLOKOSA-N 1 0 383.470 -0.184 50 0 GBAARO O=C(NC[C@H]1COCCO1)c1cccc(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000095353682 211222023 /nfs/dbraw/zinc/22/20/23/211222023.db2.gz RVIANOHJOYJYDN-HNNXBMFYSA-N 1 0 383.470 -0.184 50 0 GBAARO CCc1nnc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)[nH]1 ZINC000095353771 208158403 /nfs/dbraw/zinc/15/84/03/208158403.db2.gz AOAVLELFDQFAMY-ZIAGYGMSSA-N 1 0 382.534 -0.227 50 0 GBAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000095354049 571050803 /nfs/dbraw/zinc/05/08/03/571050803.db2.gz FBZMWRDJTLQEQD-UHFFFAOYSA-N 1 0 376.505 -0.027 50 0 GBAARO Cn1cnnc1SCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000095354327 571051564 /nfs/dbraw/zinc/05/15/64/571051564.db2.gz GJSZDPZNIKSNFP-HUUCEWRRSA-N 1 0 383.518 -0.322 50 0 GBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)CSc3nnc(N)s3)C[C@@H]2CO)CC1 ZINC000095361682 530100626 /nfs/dbraw/zinc/10/06/26/530100626.db2.gz NIDOOEPSUSOGMJ-VXGBXAGGSA-N 1 0 386.547 -0.473 50 0 GBAARO C[N@@H+]1CCN(C(=O)CCn2cnnn2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095361864 571055979 /nfs/dbraw/zinc/05/59/79/571055979.db2.gz GUIJMUFODVLXSC-SFHVURJKSA-N 1 0 375.477 -0.002 50 0 GBAARO C[N@@H+]1CCN(C(=O)CCn2cnnn2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095361865 571056071 /nfs/dbraw/zinc/05/60/71/571056071.db2.gz GUIJMUFODVLXSC-GOSISDBHSA-N 1 0 375.477 -0.002 50 0 GBAARO [NH3+]C1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COCCO3)c2)CC1 ZINC000095362038 571056012 /nfs/dbraw/zinc/05/60/12/571056012.db2.gz LKKFUCXXEHZKQA-OAHLLOKOSA-N 1 0 383.470 -0.056 50 0 GBAARO [NH3+]C1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COCCO3)c2)CC1 ZINC000095362039 571056040 /nfs/dbraw/zinc/05/60/40/571056040.db2.gz LKKFUCXXEHZKQA-HNNXBMFYSA-N 1 0 383.470 -0.056 50 0 GBAARO Cc1nc(C)c(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c(=O)[nH]1 ZINC000095372610 571062325 /nfs/dbraw/zinc/06/23/25/571062325.db2.gz JKANOZAIYYROLB-HZPDHXFCSA-N 1 0 377.489 -0.756 50 0 GBAARO Cc1cn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c(=O)[nH]c1=O ZINC000095376289 571064559 /nfs/dbraw/zinc/06/45/59/571064559.db2.gz BMIGEUNEZLCAGG-GOEBONIOSA-N 1 0 376.457 -0.053 50 0 GBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@@H]2CO)CC1 ZINC000095376991 208169283 /nfs/dbraw/zinc/16/92/83/208169283.db2.gz HLHSYBQYKDRVQJ-HUUCEWRRSA-N 1 0 388.516 -0.135 50 0 GBAARO C[N@@H+]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095377862 208169660 /nfs/dbraw/zinc/16/96/60/208169660.db2.gz XQXRGKZILSHNKZ-IBGZPJMESA-N 1 0 391.472 -0.527 50 0 GBAARO C[N@@H+]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095377863 571065196 /nfs/dbraw/zinc/06/51/96/571065196.db2.gz XQXRGKZILSHNKZ-LJQANCHMSA-N 1 0 391.472 -0.527 50 0 GBAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1)Cc1ccncc1 ZINC000095382383 571068126 /nfs/dbraw/zinc/06/81/26/571068126.db2.gz HVQVKWUJXNIQMO-RTBURBONSA-N 1 0 375.517 -0.172 50 0 GBAARO Cn1c(=O)cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)n(C)c1=O ZINC000095384344 211234607 /nfs/dbraw/zinc/23/46/07/211234607.db2.gz HAYRTRSGHUPULV-CABCVRRESA-N 1 0 394.472 -0.981 50 0 GBAARO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n(C)c1=O ZINC000095391369 571073200 /nfs/dbraw/zinc/07/32/00/571073200.db2.gz SWQSDDOYXCZHNE-DZGCQCFKSA-N 1 0 376.457 -0.201 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000095505764 208207143 /nfs/dbraw/zinc/20/71/43/208207143.db2.gz WLECVAYHTVLZPQ-CQSZACIVSA-N 1 0 391.472 -0.363 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000095505765 222338121 /nfs/dbraw/zinc/33/81/21/222338121.db2.gz WLECVAYHTVLZPQ-AWEZNQCLSA-N 1 0 391.472 -0.363 50 0 GBAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN2CCNC(=O)C2)c1 ZINC000095507187 222339467 /nfs/dbraw/zinc/33/94/67/222339467.db2.gz HQNKNRPCPMQDKU-QGZVFWFLSA-N 1 0 393.484 -0.177 50 0 GBAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN2CCNC(=O)C2)c1 ZINC000095507188 208207738 /nfs/dbraw/zinc/20/77/38/208207738.db2.gz HQNKNRPCPMQDKU-KRWDZBQOSA-N 1 0 393.484 -0.177 50 0 GBAARO CNC(=O)CN(C)Cc1ccc(OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000095508220 208209989 /nfs/dbraw/zinc/20/99/89/208209989.db2.gz YIVMYEDHKHPZJU-QGZVFWFLSA-N 1 0 394.516 -0.140 50 0 GBAARO CNC(=O)CN(C)Cc1ccc(OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000095508221 211259365 /nfs/dbraw/zinc/25/93/65/211259365.db2.gz YIVMYEDHKHPZJU-KRWDZBQOSA-N 1 0 394.516 -0.140 50 0 GBAARO COCC(=O)N1CCC(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1 ZINC000095508702 136180541 /nfs/dbraw/zinc/18/05/41/136180541.db2.gz QQDSUXBYEZSEQH-UHFFFAOYSA-N 1 0 376.461 -0.099 50 0 GBAARO COc1cc(CN2CCNC(=O)C2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095510879 571081910 /nfs/dbraw/zinc/08/19/10/571081910.db2.gz PHYAXTYEMXQNID-QGZVFWFLSA-N 1 0 393.484 -0.177 50 0 GBAARO COc1cc(CN2CCNC(=O)C2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095510880 211261674 /nfs/dbraw/zinc/26/16/74/211261674.db2.gz PHYAXTYEMXQNID-KRWDZBQOSA-N 1 0 393.484 -0.177 50 0 GBAARO Cc1cc(C)n(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c(=O)n1 ZINC000095512496 571082928 /nfs/dbraw/zinc/08/29/28/571082928.db2.gz FVKIUGDBLBZSDW-IAGOWNOFSA-N 1 0 377.489 -0.826 50 0 GBAARO O=C(CCn1nnnc1CN1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095517385 136180972 /nfs/dbraw/zinc/18/09/72/136180972.db2.gz LCWWBQIQFFQSGP-UHFFFAOYSA-N 1 0 386.460 -0.361 50 0 GBAARO CCC[N@@H+]1C[C@H](NC(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1C(=O)NC(C)C ZINC000095517752 222345139 /nfs/dbraw/zinc/34/51/39/222345139.db2.gz RVRGBXFQXSLXIO-KGLIPLIRSA-N 1 0 379.461 -0.580 50 0 GBAARO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000095517897 571085074 /nfs/dbraw/zinc/08/50/74/571085074.db2.gz BCBWZQXGOUEBAN-KRWDZBQOSA-N 1 0 392.500 -0.386 50 0 GBAARO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000095517898 571085027 /nfs/dbraw/zinc/08/50/27/571085027.db2.gz BCBWZQXGOUEBAN-QGZVFWFLSA-N 1 0 392.500 -0.386 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC000095520633 571086500 /nfs/dbraw/zinc/08/65/00/571086500.db2.gz UJEKCQLBLHGBSO-CQSZACIVSA-N 1 0 391.472 -0.363 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC000095520634 208220391 /nfs/dbraw/zinc/22/03/91/208220391.db2.gz UJEKCQLBLHGBSO-AWEZNQCLSA-N 1 0 391.472 -0.363 50 0 GBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1C)CC2 ZINC000095524820 208224058 /nfs/dbraw/zinc/22/40/58/208224058.db2.gz YXWWRLFUCAHCRG-ZFWWWQNUSA-N 1 0 390.488 -0.710 50 0 GBAARO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000096005208 209007747 /nfs/dbraw/zinc/00/77/47/209007747.db2.gz SRWMNLDMPIAIPV-UHFFFAOYSA-N 1 0 386.518 -0.577 50 0 GBAARO CSCc1noc(CNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000096132741 208270123 /nfs/dbraw/zinc/27/01/23/208270123.db2.gz BKUBVNZEDTXPBS-NEPJUHHUSA-N 1 0 383.474 -0.367 50 0 GBAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)Cn2ccnn2)CC1 ZINC000096133541 222386119 /nfs/dbraw/zinc/38/61/19/222386119.db2.gz ADIJKPVVKUHBJZ-UHFFFAOYSA-N 1 0 387.492 -0.440 50 0 GBAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)Cn2cncn2)CC1 ZINC000096136247 211306715 /nfs/dbraw/zinc/30/67/15/211306715.db2.gz SVFHBMJRDVRVAE-UHFFFAOYSA-N 1 0 387.492 -0.440 50 0 GBAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c[nH]c(=O)[nH]c2=O)C[N@@H+]1C1CCCC1 ZINC000096136735 222385361 /nfs/dbraw/zinc/38/53/61/222385361.db2.gz ZXYVGSPTFXJPSW-JSGCOSHPSA-N 1 0 377.445 -0.757 50 0 GBAARO O=C([C@H]1C[NH2+]C[C@H](C(=O)N2CCN(c3cccnc3)CC2)C1)N1CCOCC1 ZINC000096138150 136184325 /nfs/dbraw/zinc/18/43/25/136184325.db2.gz FAUXNYDJYYJINT-IAGOWNOFSA-N 1 0 387.484 -0.185 50 0 GBAARO Cn1cnnc1C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000096138211 570212681 /nfs/dbraw/zinc/21/26/81/570212681.db2.gz XDFLRDVKQJWGCT-CVEARBPZSA-N 1 0 390.488 -0.394 50 0 GBAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]2)C[N@@H+]1C1CCOCC1 ZINC000096138318 211306688 /nfs/dbraw/zinc/30/66/88/211306688.db2.gz AKCUJHWGIINXEU-WFASDCNBSA-N 1 0 379.461 -0.077 50 0 GBAARO CN(C)c1nc(CNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)cs1 ZINC000096139202 211306150 /nfs/dbraw/zinc/30/61/50/211306150.db2.gz MDOZKXXFRPFLDW-OLZOCXBDSA-N 1 0 381.502 -0.090 50 0 GBAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096139208 570212548 /nfs/dbraw/zinc/21/25/48/570212548.db2.gz BROLSZDVTWFHQM-KGLIPLIRSA-N 1 0 387.440 -0.443 50 0 GBAARO O=C(NCc1nnc2n1CCCC2)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096140532 222387198 /nfs/dbraw/zinc/38/71/98/222387198.db2.gz XWHJIEFMWXGBTB-ZIAGYGMSSA-N 1 0 376.461 -0.685 50 0 GBAARO O=C(NCc1nnnn1-c1ccccc1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096142037 570213546 /nfs/dbraw/zinc/21/35/46/570213546.db2.gz ROWPEZNWBYQONU-HUUCEWRRSA-N 1 0 399.455 -0.637 50 0 GBAARO O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000096142205 136184361 /nfs/dbraw/zinc/18/43/61/136184361.db2.gz ITWMCPOTGKGQAC-CVEARBPZSA-N 1 0 388.472 -0.790 50 0 GBAARO O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)c1cccnc1 ZINC000096152513 222390784 /nfs/dbraw/zinc/39/07/84/222390784.db2.gz PMDCZWCGSPTSII-CVEARBPZSA-N 1 0 389.456 -0.988 50 0 GBAARO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096162126 570217023 /nfs/dbraw/zinc/21/70/23/570217023.db2.gz DYCOVBQVAIZFCX-HZPDHXFCSA-N 1 0 399.455 -0.433 50 0 GBAARO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1C[NH2+]C[C@H](C(=O)N3CCOCC3)C1)C2 ZINC000096163849 222395240 /nfs/dbraw/zinc/39/52/40/222395240.db2.gz MXHSHIXXKDUYET-ZIAGYGMSSA-N 1 0 389.456 -0.985 50 0 GBAARO CC(C)c1noc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000096165815 570218323 /nfs/dbraw/zinc/21/83/23/570218323.db2.gz CMXIXOPOCXZBFY-KGLIPLIRSA-N 1 0 379.461 -0.064 50 0 GBAARO Cc1nnc(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H](C(=O)N4CCOCC4)C3)CC2)[nH]1 ZINC000096165966 208282539 /nfs/dbraw/zinc/28/25/39/208282539.db2.gz AYEJIKBMNSBQJG-CVEARBPZSA-N 1 0 390.488 -0.096 50 0 GBAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096167079 208284294 /nfs/dbraw/zinc/28/42/94/208284294.db2.gz SPUBUQXDYAPQRM-ZIAGYGMSSA-N 1 0 399.451 -0.376 50 0 GBAARO Nc1nc(CCCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)cs1 ZINC000096179640 222395463 /nfs/dbraw/zinc/39/54/63/222395463.db2.gz JYIFSDAAPPDLRY-OLZOCXBDSA-N 1 0 381.502 -0.141 50 0 GBAARO CSc1ncc(CNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1C ZINC000096180183 208283179 /nfs/dbraw/zinc/28/31/79/208283179.db2.gz AVJGPTQKOLALFU-OLZOCXBDSA-N 1 0 381.502 -0.157 50 0 GBAARO CCN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097272367 208343249 /nfs/dbraw/zinc/34/32/49/208343249.db2.gz FZULIHHDBZLMEL-HOTGVXAUSA-N 1 0 383.470 -0.498 50 0 GBAARO Cn1nccc1CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097425132 208355014 /nfs/dbraw/zinc/35/50/14/208355014.db2.gz JPOAJWNHOKYQOJ-UHFFFAOYSA-N 1 0 377.470 -0.014 50 0 GBAARO CC(C)NC(=O)CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000097532604 211366449 /nfs/dbraw/zinc/36/64/49/211366449.db2.gz DRYDZEHRTVIYPR-CQSZACIVSA-N 1 0 382.486 -0.029 50 0 GBAARO C[NH2+]CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000097674101 208359751 /nfs/dbraw/zinc/35/97/51/208359751.db2.gz PTLUERWECWLDJM-LBPRGKRZSA-N 1 0 389.499 -0.651 50 0 GBAARO C[NH2+]CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000097674104 530101900 /nfs/dbraw/zinc/10/19/00/530101900.db2.gz PTLUERWECWLDJM-GFCCVEGCSA-N 1 0 389.499 -0.651 50 0 GBAARO O=C(Cn1cnnn1)N1CCC2(CC[NH+](C3CCOCC3)CC2)[C@H](CO)C1 ZINC000097696172 208361364 /nfs/dbraw/zinc/36/13/64/208361364.db2.gz UPLCLXGAQFXQJF-HNNXBMFYSA-N 1 0 378.477 -0.225 50 0 GBAARO O=C(Cn1cnnn1)N1CCC2(CC[NH+](C3CCOCC3)CC2)[C@@H](CO)C1 ZINC000097696173 570249557 /nfs/dbraw/zinc/24/95/57/570249557.db2.gz UPLCLXGAQFXQJF-OAHLLOKOSA-N 1 0 378.477 -0.225 50 0 GBAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c4nc(C)nn4c3=O)CC[C@H]21 ZINC000102358121 570288440 /nfs/dbraw/zinc/28/84/40/570288440.db2.gz KSGGSLDLEIIFNQ-GXTWGEPZSA-N 1 0 387.444 -0.601 50 0 GBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102545115 570289820 /nfs/dbraw/zinc/28/98/20/570289820.db2.gz AYHAIDICAXTFNH-IMRBUKKESA-N 1 0 379.486 -0.490 50 0 GBAARO CC(C)CN1CCN(Cc2cc(=O)n3nc[n-]c3n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000102723308 570291867 /nfs/dbraw/zinc/29/18/67/570291867.db2.gz AYAZJZKDNOMZBI-KGLIPLIRSA-N 1 0 380.474 -0.643 50 0 GBAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000170602453 570861058 /nfs/dbraw/zinc/86/10/58/570861058.db2.gz VZBCZZYBOSFENW-GFCCVEGCSA-N 1 0 389.456 -0.451 50 0 GBAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000170602454 570861095 /nfs/dbraw/zinc/86/10/95/570861095.db2.gz VZBCZZYBOSFENW-LBPRGKRZSA-N 1 0 389.456 -0.451 50 0 GBAARO CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000170606668 570865130 /nfs/dbraw/zinc/86/51/30/570865130.db2.gz LQPWTKBPIHNMFF-UHFFFAOYSA-N 1 0 383.474 -0.026 50 0 GBAARO CCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000207981896 535342592 /nfs/dbraw/zinc/34/25/92/535342592.db2.gz SJVJORVUJOODQX-UHFFFAOYSA-N 1 0 376.461 -0.122 50 0 GBAARO O=C(NCCCn1cncn1)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000215041427 570284570 /nfs/dbraw/zinc/28/45/70/570284570.db2.gz GFGCSUIVQYOPGD-CQSZACIVSA-N 1 0 378.458 -0.262 50 0 GBAARO Cn1ncnc1CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000215256927 570286822 /nfs/dbraw/zinc/28/68/22/570286822.db2.gz GDEAYVNDCIDJLC-CYBMUJFWSA-N 1 0 378.458 -0.572 50 0 GBAARO Cn1ncnc1CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000215256973 570286854 /nfs/dbraw/zinc/28/68/54/570286854.db2.gz GDEAYVNDCIDJLC-ZDUSSCGKSA-N 1 0 378.458 -0.572 50 0 GBAARO CN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 ZINC000215769258 570291451 /nfs/dbraw/zinc/29/14/51/570291451.db2.gz KGSNPCNXKAEURH-UHFFFAOYSA-N 1 0 379.442 -0.320 50 0 GBAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnn3)c2)C1 ZINC000215788637 570291753 /nfs/dbraw/zinc/29/17/53/570291753.db2.gz VGZUAEXZPKMZFS-AWEZNQCLSA-N 1 0 378.458 -0.180 50 0 GBAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnn3)c2)C1 ZINC000215788682 570291591 /nfs/dbraw/zinc/29/15/91/570291591.db2.gz VGZUAEXZPKMZFS-CQSZACIVSA-N 1 0 378.458 -0.180 50 0 GBAARO O=C(NCc1ccon1)c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000215867799 570292766 /nfs/dbraw/zinc/29/27/66/570292766.db2.gz HAZFHSHSZQWJBE-AWEZNQCLSA-N 1 0 380.426 -0.129 50 0 GBAARO O=C(NCc1ccon1)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000215867840 570292936 /nfs/dbraw/zinc/29/29/36/570292936.db2.gz HAZFHSHSZQWJBE-CQSZACIVSA-N 1 0 380.426 -0.129 50 0 GBAARO CN1CC[C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1=O ZINC000216297393 570298634 /nfs/dbraw/zinc/29/86/34/570298634.db2.gz QAALUMGYBOPZKG-HNNXBMFYSA-N 1 0 380.470 -0.323 50 0 GBAARO CN1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1=O ZINC000216297440 570298647 /nfs/dbraw/zinc/29/86/47/570298647.db2.gz QAALUMGYBOPZKG-OAHLLOKOSA-N 1 0 380.470 -0.323 50 0 GBAARO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 ZINC000216329510 570299041 /nfs/dbraw/zinc/29/90/41/570299041.db2.gz UEKOEKMNILGPHN-CQSZACIVSA-N 1 0 378.458 -0.262 50 0 GBAARO O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 ZINC000216329550 570298959 /nfs/dbraw/zinc/29/89/59/570298959.db2.gz UEKOEKMNILGPHN-AWEZNQCLSA-N 1 0 378.458 -0.262 50 0 GBAARO Cn1ncnc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000216336559 222576037 /nfs/dbraw/zinc/57/60/37/222576037.db2.gz DCHOOIANFUCZDU-ZDUSSCGKSA-N 1 0 378.458 -0.491 50 0 GBAARO Cn1ncnc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000216336600 570299358 /nfs/dbraw/zinc/29/93/58/570299358.db2.gz DCHOOIANFUCZDU-CYBMUJFWSA-N 1 0 378.458 -0.491 50 0 GBAARO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC000216441781 570301783 /nfs/dbraw/zinc/30/17/83/570301783.db2.gz XLBPNIZFAFTVOY-CQSZACIVSA-N 1 0 378.458 -0.262 50 0 GBAARO O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC000216441826 570301734 /nfs/dbraw/zinc/30/17/34/570301734.db2.gz XLBPNIZFAFTVOY-AWEZNQCLSA-N 1 0 378.458 -0.262 50 0 GBAARO CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[NH2+]CC3)c2)CC1=O ZINC000216547755 570302853 /nfs/dbraw/zinc/30/28/53/570302853.db2.gz IWWJQDOQEMMHFP-UHFFFAOYSA-N 1 0 380.470 -0.415 50 0 GBAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1sccc1S(N)(=O)=O ZINC000219066535 530193052 /nfs/dbraw/zinc/19/30/52/530193052.db2.gz JHOWZGWZUXNNMB-MNOVXSKESA-N 1 0 377.488 -0.139 50 0 GBAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NS(=O)(=O)c1cc(C(N)=O)cs1 ZINC000219865962 530193530 /nfs/dbraw/zinc/19/35/30/530193530.db2.gz QQGPEACYZSYNQB-NEPJUHHUSA-N 1 0 377.488 -0.139 50 0 GBAARO C[NH+]1CCC(O)(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)CC1 ZINC000221257499 570392437 /nfs/dbraw/zinc/39/24/37/570392437.db2.gz ILYRYPISZLJOGB-HZPDHXFCSA-N 1 0 377.441 -0.105 50 0 GBAARO COC[C@@H]1[C@@H](NC(=O)c2c(OC)cc(=O)n3c2CC[NH2+]CC3)[C@@H]2CCO[C@H]12 ZINC000222990007 570435322 /nfs/dbraw/zinc/43/53/22/570435322.db2.gz UWWCCIIKCIQVSM-CMKMFDCUSA-N 1 0 377.441 -0.218 50 0 GBAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(C(N)=O)cs1 ZINC000223182062 530196252 /nfs/dbraw/zinc/19/62/52/530196252.db2.gz CGGZRLTUODDJEM-VXGBXAGGSA-N 1 0 377.488 -0.139 50 0 GBAARO Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(CO)(C[NH+]3CCCC3)CC1)CC2 ZINC000223907781 570489707 /nfs/dbraw/zinc/48/97/07/570489707.db2.gz KWXQOWQICAZCPA-HNNXBMFYSA-N 1 0 377.489 -0.159 50 0 GBAARO Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC(CO)(C[NH+]3CCCC3)CC1)CC2 ZINC000223907837 222646178 /nfs/dbraw/zinc/64/61/78/222646178.db2.gz KWXQOWQICAZCPA-OAHLLOKOSA-N 1 0 377.489 -0.159 50 0 GBAARO Cn1cnc2c1c(=O)n(CCCN1CC[NH+](CC(C)(C)O)CC1)c(=O)n2C ZINC000225542474 570586086 /nfs/dbraw/zinc/58/60/86/570586086.db2.gz KMFBFBQRAVQBFQ-UHFFFAOYSA-N 1 0 378.477 -0.788 50 0 GBAARO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000239882301 570684454 /nfs/dbraw/zinc/68/44/54/570684454.db2.gz DAZPBWGESHXRJS-AWEZNQCLSA-N 1 0 380.445 -0.353 50 0 GBAARO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000239882304 222721359 /nfs/dbraw/zinc/72/13/59/222721359.db2.gz DAZPBWGESHXRJS-CQSZACIVSA-N 1 0 380.445 -0.353 50 0 GBAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C ZINC000241587798 570686905 /nfs/dbraw/zinc/68/69/05/570686905.db2.gz OXGXAUCJNUQUBO-CABCVRRESA-N 1 0 378.473 -0.446 50 0 GBAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C ZINC000241587799 206127459 /nfs/dbraw/zinc/12/74/59/206127459.db2.gz OXGXAUCJNUQUBO-GJZGRUSLSA-N 1 0 378.473 -0.446 50 0 GBAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1C ZINC000241587800 570687049 /nfs/dbraw/zinc/68/70/49/570687049.db2.gz OXGXAUCJNUQUBO-HUUCEWRRSA-N 1 0 378.473 -0.446 50 0 GBAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1C ZINC000241587801 206126123 /nfs/dbraw/zinc/12/61/23/206126123.db2.gz OXGXAUCJNUQUBO-LSDHHAIUSA-N 1 0 378.473 -0.446 50 0 GBAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000244691922 222724366 /nfs/dbraw/zinc/72/43/66/222724366.db2.gz JLJILRNBXDIRPD-BETUJISGSA-N 1 0 384.506 -0.244 50 0 GBAARO Cn1c(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244724282 570695825 /nfs/dbraw/zinc/69/58/25/570695825.db2.gz MRDORKQVWGRWMQ-SHTZXODSSA-N 1 0 397.549 -0.132 50 0 GBAARO COCCn1c(CN2CCCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244778677 206131755 /nfs/dbraw/zinc/13/17/55/206131755.db2.gz PUQFNOQCHPFZFX-GASCZTMLSA-N 1 0 380.493 -0.190 50 0 GBAARO C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(C)(=O)=O)CCC(=O)NCC2)CC1 ZINC000257182382 1073256203 /nfs/dbraw/zinc/25/62/03/1073256203.db2.gz PBMSKNPWCGHNTF-AWEZNQCLSA-N 1 0 388.534 -0.235 50 0 GBAARO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)CCC(=O)NCC2)CC1 ZINC000257182383 1073256155 /nfs/dbraw/zinc/25/61/55/1073256155.db2.gz PBMSKNPWCGHNTF-CQSZACIVSA-N 1 0 388.534 -0.235 50 0 GBAARO Cn1c2ncn(CC[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c(=O)n(C)c1=O ZINC000263584919 570907787 /nfs/dbraw/zinc/90/77/87/570907787.db2.gz CCWSJFITBQNYMS-UONOGXRCSA-N 1 0 396.451 -0.285 50 0 biogenic GBAARO CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000269668096 530084047 /nfs/dbraw/zinc/08/40/47/530084047.db2.gz WKARXKXNSWXHPD-UHFFFAOYSA-N 1 0 381.907 -0.073 50 0 GBAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H](C)[NH2+]1 ZINC000299740149 570823791 /nfs/dbraw/zinc/82/37/91/570823791.db2.gz WHHWESDWKJTJQH-UPJWGTAASA-N 1 0 380.470 -0.104 50 0 GBAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H](C)[NH2+]1 ZINC000299740150 570823638 /nfs/dbraw/zinc/82/36/38/570823638.db2.gz WHHWESDWKJTJQH-XQQFMLRXSA-N 1 0 380.470 -0.104 50 0 GBAARO O=C(Cn1cnnn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299760616 209085024 /nfs/dbraw/zinc/08/50/24/209085024.db2.gz INYNXKUYCYHOLX-INIZCTEOSA-N 1 0 391.476 -0.861 50 0 GBAARO O=C(Cn1cnnn1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299760619 570892210 /nfs/dbraw/zinc/89/22/10/570892210.db2.gz INYNXKUYCYHOLX-MRXNPFEDSA-N 1 0 391.476 -0.861 50 0 GBAARO COc1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)c1OCCC[NH3+] ZINC000299765631 570892841 /nfs/dbraw/zinc/89/28/41/570892841.db2.gz OZISFLZUVVQOSA-HOTGVXAUSA-N 1 0 379.457 -0.060 50 0 GBAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nnc[nH]1 ZINC000299766302 570893401 /nfs/dbraw/zinc/89/34/01/570893401.db2.gz IHJGEIIIWHFQNP-HNNXBMFYSA-N 1 0 376.461 -0.116 50 0 GBAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nnc[nH]1 ZINC000299766304 570893211 /nfs/dbraw/zinc/89/32/11/570893211.db2.gz IHJGEIIIWHFQNP-OAHLLOKOSA-N 1 0 376.461 -0.116 50 0 GBAARO O=C(Cn1nccn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299776492 212034478 /nfs/dbraw/zinc/03/44/78/212034478.db2.gz CECOVBXUBKIDPD-KRWDZBQOSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(Cn1nccn1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299776495 206189184 /nfs/dbraw/zinc/18/91/84/206189184.db2.gz CECOVBXUBKIDPD-QGZVFWFLSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(Cn1cnnc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299780574 1073903439 /nfs/dbraw/zinc/90/34/39/1073903439.db2.gz AVVAUXXYHFUIER-KRWDZBQOSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(Cn1cnnc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299780581 1073903454 /nfs/dbraw/zinc/90/34/54/1073903454.db2.gz AVVAUXXYHFUIER-QGZVFWFLSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(Cn1ccnn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299786195 212037085 /nfs/dbraw/zinc/03/70/85/212037085.db2.gz WFTGPKDERPKEPH-KRWDZBQOSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(Cn1ccnn1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299786200 209088013 /nfs/dbraw/zinc/08/80/13/209088013.db2.gz WFTGPKDERPKEPH-QGZVFWFLSA-N 1 0 390.488 -0.256 50 0 GBAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cn[nH]n1 ZINC000299788827 212039213 /nfs/dbraw/zinc/03/92/13/212039213.db2.gz XZMOBBZOPOCCKV-HNNXBMFYSA-N 1 0 376.461 -0.116 50 0 GBAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cn[nH]n1 ZINC000299788830 212038653 /nfs/dbraw/zinc/03/86/53/212038653.db2.gz XZMOBBZOPOCCKV-OAHLLOKOSA-N 1 0 376.461 -0.116 50 0 GBAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1c[nH]c(=O)[nH]1 ZINC000299797270 206192104 /nfs/dbraw/zinc/19/21/04/206192104.db2.gz QIMSRDYQCKQBLZ-HNNXBMFYSA-N 1 0 391.472 -0.218 50 0 GBAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1c[nH]c(=O)[nH]1 ZINC000299797275 570897592 /nfs/dbraw/zinc/89/75/92/570897592.db2.gz QIMSRDYQCKQBLZ-OAHLLOKOSA-N 1 0 391.472 -0.218 50 0 GBAARO O=C(Cn1ncnn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299798466 206192262 /nfs/dbraw/zinc/19/22/62/206192262.db2.gz QANGWQUJTAGZJI-INIZCTEOSA-N 1 0 391.476 -0.861 50 0 GBAARO O=C(Cn1ncnn1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299798473 570897531 /nfs/dbraw/zinc/89/75/31/570897531.db2.gz QANGWQUJTAGZJI-MRXNPFEDSA-N 1 0 391.476 -0.861 50 0 GBAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000426383303 231211476 /nfs/dbraw/zinc/21/14/76/231211476.db2.gz OMFIXKQQAOBIHY-UHFFFAOYSA-N 1 0 382.428 -0.238 50 0 GBAARO COc1ccc(C(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)cc1OCC[NH3+] ZINC000426419992 1072956947 /nfs/dbraw/zinc/95/69/47/1072956947.db2.gz LQKBGQUPTRKVKC-UHFFFAOYSA-N 1 0 388.428 0.073 50 0 GBAARO C[NH+](C)CCN1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1 ZINC000426503569 231230918 /nfs/dbraw/zinc/23/09/18/231230918.db2.gz OLHCZFDTQNHWKS-HNNXBMFYSA-N 1 0 376.505 -0.155 50 0 GBAARO C[NH+](C)CCN1CCN(c2cc([C@@H]3CCOC3)nc(N3CC(O)C3)n2)CC1 ZINC000426503570 231231204 /nfs/dbraw/zinc/23/12/04/231231204.db2.gz OLHCZFDTQNHWKS-OAHLLOKOSA-N 1 0 376.505 -0.155 50 0 GBAARO Nc1nc([C@H]2CCOC2)cc(N2CCC([NH+]3CCN(CCO)CC3)CC2)n1 ZINC000426533801 1072978064 /nfs/dbraw/zinc/97/80/64/1072978064.db2.gz OOMZWMHZGRFPKO-HNNXBMFYSA-N 1 0 376.505 0.141 50 0 GBAARO Nc1nc([C@@H]2CCOC2)cc(N2CCC([NH+]3CCN(CCO)CC3)CC2)n1 ZINC000426533802 1072978097 /nfs/dbraw/zinc/97/80/97/1072978097.db2.gz OOMZWMHZGRFPKO-OAHLLOKOSA-N 1 0 376.505 0.141 50 0 GBAARO Cc1noc(C)c1CN1CC[C@@H](NC(=O)CN2CCC[N@@H+](C)CC2)[C@H](O)C1 ZINC000426590023 534359020 /nfs/dbraw/zinc/35/90/20/534359020.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 1 0 379.505 -0.020 50 0 GBAARO COc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cc1OCC[NH3+] ZINC000426628693 570503183 /nfs/dbraw/zinc/50/31/83/570503183.db2.gz COXJVJNACXCZQO-HOTGVXAUSA-N 1 0 378.473 -0.223 50 0 GBAARO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3([NH3+])CCOCC3)cn2)CC1 ZINC000649333675 570948392 /nfs/dbraw/zinc/94/83/92/570948392.db2.gz MPYCUDJUMVMALS-UHFFFAOYSA-N 1 0 383.474 -0.390 50 0 GBAARO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000659284300 570790238 /nfs/dbraw/zinc/79/02/38/570790238.db2.gz GZIPPRLIEWJRBI-AWEZNQCLSA-N 1 0 385.490 -0.146 50 0 GBAARO C[C@H](O)C[N@@H+]1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)C[C@@H]1C ZINC000888097186 1073637489 /nfs/dbraw/zinc/63/74/89/1073637489.db2.gz DKKFHOSQPAPBKJ-DEYYWGMASA-N 1 0 376.461 -0.131 50 0 GBAARO C[C@H](O)C[N@@H+]1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)C[C@H]1C ZINC000888097187 1073637463 /nfs/dbraw/zinc/63/74/63/1073637463.db2.gz DKKFHOSQPAPBKJ-GLJUWKHASA-N 1 0 376.461 -0.131 50 0 GBAARO C[C@H](O)C[N@@H+]1CCN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)C[C@H]1C ZINC000888097188 1073637562 /nfs/dbraw/zinc/63/75/62/1073637562.db2.gz DKKFHOSQPAPBKJ-QWQRMKEZSA-N 1 0 376.461 -0.131 50 0 GBAARO CC1(C)CN(c2ncnc3c2ncn3CC2(CO)COC2)CC[N@@H+]1CCO ZINC000888097308 1073637519 /nfs/dbraw/zinc/63/75/19/1073637519.db2.gz HEXLYOFXDRRLPP-UHFFFAOYSA-N 1 0 376.461 -0.272 50 0 GBAARO C[N@H+](CCO)C1CCN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)CC1 ZINC000888097416 1073637600 /nfs/dbraw/zinc/63/76/00/1073637600.db2.gz IPZYLBDYPAWWIZ-GOSISDBHSA-N 1 0 376.461 -0.129 50 0 GBAARO C[N@H+](CCO)C1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)CC1 ZINC000888097417 1073637582 /nfs/dbraw/zinc/63/75/82/1073637582.db2.gz IPZYLBDYPAWWIZ-SFHVURJKSA-N 1 0 376.461 -0.129 50 0 GBAARO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)CC ZINC000952977078 638351503 /nfs/dbraw/zinc/35/15/03/638351503.db2.gz JELJRJPLOPPOME-HNNXBMFYSA-N 1 0 375.539 -0.647 50 0 GBAARO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@H+](C)CC ZINC000952977091 638351564 /nfs/dbraw/zinc/35/15/64/638351564.db2.gz JELJRJPLOPPOME-OAHLLOKOSA-N 1 0 375.539 -0.647 50 0 GBAARO