smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029840279 1071271612 /nfs/dbraw/zinc/27/16/12/1071271612.db2.gz PYTPGYSKODRLKD-UHFFFAOYSA-N 1 0 400.457 -0.258 20 5 HBBDRO CC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029840285 1071271882 /nfs/dbraw/zinc/27/18/82/1071271882.db2.gz WWYMAOGLIBWWBR-UHFFFAOYSA-N 1 0 400.457 -0.258 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000050956260 1068485066 /nfs/dbraw/zinc/48/50/66/1068485066.db2.gz CENYWTYITPQQBC-AWEZNQCLSA-N 1 0 401.445 -0.875 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000050956262 1068485737 /nfs/dbraw/zinc/48/57/37/1068485737.db2.gz CENYWTYITPQQBC-CQSZACIVSA-N 1 0 401.445 -0.875 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000050956422 1068484977 /nfs/dbraw/zinc/48/49/77/1068484977.db2.gz RTKZZFKNOKJCRS-HNNXBMFYSA-N 1 0 415.472 -0.485 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000050956423 1068485718 /nfs/dbraw/zinc/48/57/18/1068485718.db2.gz RTKZZFKNOKJCRS-OAHLLOKOSA-N 1 0 415.472 -0.485 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000054369496 1069093711 /nfs/dbraw/zinc/09/37/11/1069093711.db2.gz ISSXHZHNGLCMKE-UHFFFAOYSA-N 1 0 414.488 -0.958 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000104731567 1069224597 /nfs/dbraw/zinc/22/45/97/1069224597.db2.gz XYSYYURVIDAJHV-UHFFFAOYSA-N 1 0 401.489 -0.451 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCNS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000105802956 1070830990 /nfs/dbraw/zinc/83/09/90/1070830990.db2.gz CXZWYDBDJKZGFL-UHFFFAOYSA-N 1 0 423.517 -0.214 20 5 HBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000410167697 1071952902 /nfs/dbraw/zinc/95/29/02/1071952902.db2.gz UPLLUXWBHFRPDR-UHFFFAOYSA-N 1 0 421.454 -0.426 20 5 HBBDRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000427397882 1069545521 /nfs/dbraw/zinc/54/55/21/1069545521.db2.gz IIDXAVWTPUDTOX-UHFFFAOYSA-N 1 0 404.431 0.352 20 5 HBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000427783152 1070740298 /nfs/dbraw/zinc/74/02/98/1070740298.db2.gz UJEBVMWQBZKDDR-CTASWTNQSA-N 1 0 424.479 -0.261 20 5 HBBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000427783153 1070740401 /nfs/dbraw/zinc/74/04/01/1070740401.db2.gz UJEBVMWQBZKDDR-FQLMCAECSA-N 1 0 424.479 -0.261 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000431833604 1069020599 /nfs/dbraw/zinc/02/05/99/1069020599.db2.gz PAJGCXKYHPAWDN-GFCCVEGCSA-N 1 0 412.472 -0.352 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000431833605 1069020395 /nfs/dbraw/zinc/02/03/95/1069020395.db2.gz PAJGCXKYHPAWDN-LBPRGKRZSA-N 1 0 412.472 -0.352 20 5 HBBDRO C[C@@H](O)CN1CCN(c2nc(N3CC[NH+](C[C@@H](C)O)CC3)ccc2[N+](=O)[O-])CC1 ZINC000433771380 1069518239 /nfs/dbraw/zinc/51/82/39/1069518239.db2.gz PKVDVKJVEVOWBP-HZPDHXFCSA-N 1 0 408.503 -0.005 20 5 HBBDRO C[C@H](O)CN1CCN(c2nc(N3CC[NH+](C[C@H](C)O)CC3)ccc2[N+](=O)[O-])CC1 ZINC000433779876 1069519279 /nfs/dbraw/zinc/51/92/79/1069519279.db2.gz PKVDVKJVEVOWBP-HOTGVXAUSA-N 1 0 408.503 -0.005 20 5 HBBDRO Cc1c(C(=O)NC[C@](C)(O)CN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000434329498 1069773528 /nfs/dbraw/zinc/77/35/28/1069773528.db2.gz ZLURDMRCPAZTSS-INIZCTEOSA-N 1 0 416.456 -0.636 20 5 HBBDRO Cc1c(C(=O)NC[C@@](C)(O)CN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000434329499 1069773352 /nfs/dbraw/zinc/77/33/52/1069773352.db2.gz ZLURDMRCPAZTSS-MRXNPFEDSA-N 1 0 416.456 -0.636 20 5 HBBDRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000434697487 1069809069 /nfs/dbraw/zinc/80/90/69/1069809069.db2.gz PFFUHZLGMUTHEO-HNNXBMFYSA-N 1 0 412.468 -0.116 20 5 HBBDRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000434713574 1069811211 /nfs/dbraw/zinc/81/12/11/1069811211.db2.gz IRFOORKLZCKASF-HNNXBMFYSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[NH+](C)CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000434767262 1069828394 /nfs/dbraw/zinc/82/83/94/1069828394.db2.gz IFPUIHDKENACAV-AWEZNQCLSA-N 1 0 400.457 -0.276 20 5 HBBDRO C[NH+](C)CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000434767263 1069828519 /nfs/dbraw/zinc/82/85/19/1069828519.db2.gz IFPUIHDKENACAV-CQSZACIVSA-N 1 0 400.457 -0.276 20 5 HBBDRO C[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000436435212 1069978010 /nfs/dbraw/zinc/97/80/10/1069978010.db2.gz SSVMCYKMUUORBN-CQSZACIVSA-N 1 0 415.516 -0.063 20 5 HBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000438685190 1070165506 /nfs/dbraw/zinc/16/55/06/1070165506.db2.gz XTCYGSSUKIEGKR-UHFFFAOYSA-N 1 0 415.472 -0.117 20 5 HBBDRO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000438834698 1070785932 /nfs/dbraw/zinc/78/59/32/1070785932.db2.gz AUJCFMXUQWUKHP-HNNXBMFYSA-N 1 0 410.456 -0.378 20 5 HBBDRO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000438834700 1070786078 /nfs/dbraw/zinc/78/60/78/1070786078.db2.gz AUJCFMXUQWUKHP-OAHLLOKOSA-N 1 0 410.456 -0.378 20 5 HBBDRO C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440948314 1071457549 /nfs/dbraw/zinc/45/75/49/1071457549.db2.gz LTWFHSFKYPUUJN-UHFFFAOYSA-N 1 0 400.457 -0.258 20 5 HBBDRO C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000440971422 1071466885 /nfs/dbraw/zinc/46/68/85/1071466885.db2.gz ZKFSOJJSWIINJB-UHFFFAOYSA-N 1 0 400.457 -0.258 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000441803786 1069223807 /nfs/dbraw/zinc/22/38/07/1069223807.db2.gz SIAOFOXMNBUKBF-UHFFFAOYSA-N 1 0 406.486 -0.331 20 5 HBBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443302642 1071331980 /nfs/dbraw/zinc/33/19/80/1071331980.db2.gz ZSILDMPAPZUSMG-UHFFFAOYSA-N 1 0 419.456 -0.073 20 5 HBBDRO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000446029021 1071452314 /nfs/dbraw/zinc/45/23/14/1071452314.db2.gz NSVKMEOMHJUTEW-CQSZACIVSA-N 1 0 412.468 -0.258 20 5 HBBDRO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000446037419 1069002551 /nfs/dbraw/zinc/00/25/51/1069002551.db2.gz ZTNNUJKGWKVMJQ-CQSZACIVSA-N 1 0 412.468 -0.258 20 5 HBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000446491620 1071494043 /nfs/dbraw/zinc/49/40/43/1071494043.db2.gz ADRIJZGGIHFZJT-UHFFFAOYSA-N 1 0 415.472 -0.105 20 5 HBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCCOCC1 ZINC000446508157 1071497031 /nfs/dbraw/zinc/49/70/31/1071497031.db2.gz VVXMYCRQYPCNSY-UHFFFAOYSA-N 1 0 415.472 -0.105 20 5 HBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000446684447 1071509067 /nfs/dbraw/zinc/50/90/67/1071509067.db2.gz XNMPZCUYKIOMLL-UHFFFAOYSA-N 1 0 415.472 -0.105 20 5 HBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000460261297 1071380561 /nfs/dbraw/zinc/38/05/61/1071380561.db2.gz JUSUEFNYIPITJG-HNNXBMFYSA-N 1 0 401.445 -0.761 20 5 HBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000460261299 1071380656 /nfs/dbraw/zinc/38/06/56/1071380656.db2.gz JUSUEFNYIPITJG-OAHLLOKOSA-N 1 0 401.445 -0.761 20 5 HBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000460267382 1071380871 /nfs/dbraw/zinc/38/08/71/1071380871.db2.gz VOOPWAURPMJENM-HNNXBMFYSA-N 1 0 401.445 -0.761 20 5 HBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000460267383 1071380794 /nfs/dbraw/zinc/38/07/94/1071380794.db2.gz VOOPWAURPMJENM-OAHLLOKOSA-N 1 0 401.445 -0.761 20 5 HBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000460269242 1071380828 /nfs/dbraw/zinc/38/08/28/1071380828.db2.gz JRNIZZRPRQLBGA-HNNXBMFYSA-N 1 0 401.445 -0.761 20 5 HBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000460269244 1071380509 /nfs/dbraw/zinc/38/05/09/1071380509.db2.gz JRNIZZRPRQLBGA-OAHLLOKOSA-N 1 0 401.445 -0.761 20 5 HBBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)[C@@H]([NH+](C)C)C3)c([N+](=O)[O-])c2)CC1 ZINC000461864992 1069718349 /nfs/dbraw/zinc/71/83/49/1069718349.db2.gz LLOMLMHWSCIKOY-IRXDYDNUSA-N 1 0 413.500 -0.358 20 5 HBBDRO C[NH+](C)[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@@H]1O ZINC000461882952 1069720516 /nfs/dbraw/zinc/72/05/16/1069720516.db2.gz IZAIPINOJAXGCB-HOTGVXAUSA-N 1 0 400.457 -0.273 20 5 HBBDRO C[C@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463344165 1071364048 /nfs/dbraw/zinc/36/40/48/1071364048.db2.gz QLZMDSJFVFLBPT-ZDUSSCGKSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000463345684 1071364531 /nfs/dbraw/zinc/36/45/31/1071364531.db2.gz QLZMDSJFVFLBPT-CYBMUJFWSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463354832 1071365589 /nfs/dbraw/zinc/36/55/89/1071365589.db2.gz QTJWLZKPVOBCRC-CYBMUJFWSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@H](O)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000463359529 1071366796 /nfs/dbraw/zinc/36/67/96/1071366796.db2.gz QTJWLZKPVOBCRC-ZDUSSCGKSA-N 1 0 400.457 -0.260 20 5 HBBDRO CNC(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000466450460 1069336025 /nfs/dbraw/zinc/33/60/25/1069336025.db2.gz VRLVTFRLUPKVNM-GFCCVEGCSA-N 1 0 414.488 -0.058 20 5 HBBDRO CNC(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000466450461 1069335894 /nfs/dbraw/zinc/33/58/94/1069335894.db2.gz VRLVTFRLUPKVNM-LBPRGKRZSA-N 1 0 414.488 -0.058 20 5 HBBDRO CN(Cc1nnnn1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000466810158 1071917481 /nfs/dbraw/zinc/91/74/81/1071917481.db2.gz WGHKQRPCSKFSAG-UHFFFAOYSA-N 1 0 412.476 -0.015 20 5 HBBDRO Cc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468492526 1072074485 /nfs/dbraw/zinc/07/44/85/1072074485.db2.gz OEZLMLCFCOSRHE-UHFFFAOYSA-N 1 0 413.456 -0.603 20 5 HBBDRO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471192595 1068261576 /nfs/dbraw/zinc/26/15/76/1068261576.db2.gz ZTNNUJKGWKVMJQ-AWEZNQCLSA-N 1 0 412.468 -0.258 20 5 HBBDRO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000471199517 1068264030 /nfs/dbraw/zinc/26/40/30/1068264030.db2.gz NSVKMEOMHJUTEW-AWEZNQCLSA-N 1 0 412.468 -0.258 20 5 HBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000474099198 1071084474 /nfs/dbraw/zinc/08/44/74/1071084474.db2.gz SBRRLGXQSIOMKD-UHFFFAOYSA-N 1 0 417.426 -0.162 20 5 HBBDRO CN(CC(=O)NCC1(O)CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000474977220 1071169194 /nfs/dbraw/zinc/16/91/94/1071169194.db2.gz RJWKXHVHGGLZTA-UHFFFAOYSA-N 1 0 400.457 -0.212 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000474979605 1071169277 /nfs/dbraw/zinc/16/92/77/1071169277.db2.gz YRLDKAPBQWWPDX-UHFFFAOYSA-N 1 0 415.472 -0.383 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000474984133 1071169226 /nfs/dbraw/zinc/16/92/26/1071169226.db2.gz HAHATSJIXIODCT-UHFFFAOYSA-N 1 0 400.457 -0.164 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000474984931 1071169089 /nfs/dbraw/zinc/16/90/89/1071169089.db2.gz JQLQFJILIDUEIC-UHFFFAOYSA-N 1 0 400.457 -0.164 20 5 HBBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477166992 1068505736 /nfs/dbraw/zinc/50/57/36/1068505736.db2.gz RUYCEFXGQJEPLQ-UHFFFAOYSA-N 1 0 414.440 -0.240 20 5 HBBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000478061184 1069781673 /nfs/dbraw/zinc/78/16/73/1069781673.db2.gz KNTNSVFLQZTYSG-KRWDZBQOSA-N 1 0 423.495 -0.182 20 5 HBBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000478061185 1068682783 /nfs/dbraw/zinc/68/27/83/1068682783.db2.gz KNTNSVFLQZTYSG-QGZVFWFLSA-N 1 0 423.495 -0.182 20 5 HBBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000478063755 1069783999 /nfs/dbraw/zinc/78/39/99/1069783999.db2.gz QOOHSHOIPTXKDB-INIZCTEOSA-N 1 0 423.495 -0.182 20 5 HBBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000478063759 1069784167 /nfs/dbraw/zinc/78/41/67/1069784167.db2.gz QOOHSHOIPTXKDB-MRXNPFEDSA-N 1 0 423.495 -0.182 20 5 HBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000479473103 1069985668 /nfs/dbraw/zinc/98/56/68/1069985668.db2.gz XYZBNGQVILCATQ-INIZCTEOSA-N 1 0 411.484 -0.084 20 5 HBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000479473104 1069985827 /nfs/dbraw/zinc/98/58/27/1069985827.db2.gz XYZBNGQVILCATQ-MRXNPFEDSA-N 1 0 411.484 -0.084 20 5 HBBDRO C[C@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000483042269 1070322255 /nfs/dbraw/zinc/32/22/55/1070322255.db2.gz BZEHMJPPVDYYAD-KRWDZBQOSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[C@@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000483042270 1070322307 /nfs/dbraw/zinc/32/23/07/1070322307.db2.gz BZEHMJPPVDYYAD-QGZVFWFLSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[C@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000483043916 1070321976 /nfs/dbraw/zinc/32/19/76/1070321976.db2.gz FDQWQZFPOIQQPU-KRWDZBQOSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[C@@]1(O)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000483043920 1070322039 /nfs/dbraw/zinc/32/20/39/1070322039.db2.gz FDQWQZFPOIQQPU-QGZVFWFLSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000486002910 1070483774 /nfs/dbraw/zinc/48/37/74/1070483774.db2.gz HJNSXEFWTWNVTD-INIZCTEOSA-N 1 0 415.472 -0.749 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000486002928 1070483794 /nfs/dbraw/zinc/48/37/94/1070483794.db2.gz HJNSXEFWTWNVTD-MRXNPFEDSA-N 1 0 415.472 -0.749 20 5 HBBDRO C[C@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000487132810 1070532100 /nfs/dbraw/zinc/53/21/00/1070532100.db2.gz WPRXGYAXKKFRBK-ZDUSSCGKSA-N 1 0 415.472 -0.419 20 5 HBBDRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)c([N+](=O)[O-])c1 ZINC000487919162 1071678499 /nfs/dbraw/zinc/67/84/99/1071678499.db2.gz VTOUINRARCNPAZ-CYBMUJFWSA-N 1 0 407.427 -0.010 20 5 HBBDRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)c([N+](=O)[O-])c1 ZINC000487919163 1071678644 /nfs/dbraw/zinc/67/86/44/1071678644.db2.gz VTOUINRARCNPAZ-ZDUSSCGKSA-N 1 0 407.427 -0.010 20 5 HBBDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989527 1070557972 /nfs/dbraw/zinc/55/79/72/1070557972.db2.gz QKHVLMRKWMMFOI-CABCVRRESA-N 1 0 405.477 -0.475 20 5 HBBDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989528 1071715541 /nfs/dbraw/zinc/71/55/41/1071715541.db2.gz QKHVLMRKWMMFOI-GJZGRUSLSA-N 1 0 405.477 -0.475 20 5 HBBDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989529 1071716048 /nfs/dbraw/zinc/71/60/48/1071716048.db2.gz QKHVLMRKWMMFOI-HUUCEWRRSA-N 1 0 405.477 -0.475 20 5 HBBDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000487989530 1071716015 /nfs/dbraw/zinc/71/60/15/1071716015.db2.gz QKHVLMRKWMMFOI-LSDHHAIUSA-N 1 0 405.477 -0.475 20 5 HBBDRO Cn1c2ncn(CC[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c(=O)n(C)c1=O ZINC000488746049 1070581579 /nfs/dbraw/zinc/58/15/79/1070581579.db2.gz MFQBEEGGIDISRY-UHFFFAOYSA-N 1 0 402.415 -0.125 20 5 HBBDRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000488753162 1070581203 /nfs/dbraw/zinc/58/12/03/1070581203.db2.gz ZBZNSNZEDCRGJI-UHFFFAOYSA-N 1 0 407.475 -0.339 20 5 HBBDRO C[C@H](O)CN1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000489898544 1070629477 /nfs/dbraw/zinc/62/94/77/1070629477.db2.gz SSVMCYKMUUORBN-AWEZNQCLSA-N 1 0 415.516 -0.063 20 5 HBBDRO C[C@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCN1CCO ZINC000490034869 1070632716 /nfs/dbraw/zinc/63/27/16/1070632716.db2.gz SCFNEYYDOFNPMF-AWEZNQCLSA-N 1 0 415.516 -0.063 20 5 HBBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCN1CCO ZINC000490034871 1070632964 /nfs/dbraw/zinc/63/29/64/1070632964.db2.gz SCFNEYYDOFNPMF-CQSZACIVSA-N 1 0 415.516 -0.063 20 5 HBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000490382270 1070658101 /nfs/dbraw/zinc/65/81/01/1070658101.db2.gz WUZTWHXEXHVION-UHFFFAOYSA-N 1 0 417.426 -0.276 20 5 HBBDRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494703191 1071618307 /nfs/dbraw/zinc/61/83/07/1071618307.db2.gz MDMIXFPAQLNHGL-INIZCTEOSA-N 1 0 424.479 -0.116 20 5 HBBDRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494703206 1071618258 /nfs/dbraw/zinc/61/82/58/1071618258.db2.gz MDMIXFPAQLNHGL-MRXNPFEDSA-N 1 0 424.479 -0.116 20 5 HBBDRO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494714636 1071621120 /nfs/dbraw/zinc/62/11/20/1071621120.db2.gz XRTQVTJJICLOHZ-INIZCTEOSA-N 1 0 424.479 -0.116 20 5 HBBDRO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494714637 1071621277 /nfs/dbraw/zinc/62/12/77/1071621277.db2.gz XRTQVTJJICLOHZ-MRXNPFEDSA-N 1 0 424.479 -0.116 20 5 HBBDRO O=C(C[N@H+]1CCC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000502086008 1069590180 /nfs/dbraw/zinc/59/01/80/1069590180.db2.gz XWDHYVFSDXWBAI-HNNXBMFYSA-N 1 0 412.468 -0.116 20 5 HBBDRO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000502086009 1069590299 /nfs/dbraw/zinc/59/02/99/1069590299.db2.gz XWDHYVFSDXWBAI-OAHLLOKOSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 ZINC000502158269 1069595442 /nfs/dbraw/zinc/59/54/42/1069595442.db2.gz ZQIKLVHFQNGPQB-UHFFFAOYSA-N 1 0 415.472 -0.924 20 5 HBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386703 1069612728 /nfs/dbraw/zinc/61/27/28/1069612728.db2.gz QCEQGGFOKKKKIF-CABCVRRESA-N 1 0 403.461 -0.721 20 5 HBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386704 1069612690 /nfs/dbraw/zinc/61/26/90/1069612690.db2.gz QCEQGGFOKKKKIF-GJZGRUSLSA-N 1 0 403.461 -0.721 20 5 HBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386705 1069612872 /nfs/dbraw/zinc/61/28/72/1069612872.db2.gz QCEQGGFOKKKKIF-HUUCEWRRSA-N 1 0 403.461 -0.721 20 5 HBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000502386706 1069612936 /nfs/dbraw/zinc/61/29/36/1069612936.db2.gz QCEQGGFOKKKKIF-LSDHHAIUSA-N 1 0 403.461 -0.721 20 5 HBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502468983 1069614302 /nfs/dbraw/zinc/61/43/02/1069614302.db2.gz BAFYEQMLNYZIPN-HNNXBMFYSA-N 1 0 403.461 -0.515 20 5 HBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502468984 1069614423 /nfs/dbraw/zinc/61/44/23/1069614423.db2.gz BAFYEQMLNYZIPN-OAHLLOKOSA-N 1 0 403.461 -0.515 20 5 HBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502513698 1069616364 /nfs/dbraw/zinc/61/63/64/1069616364.db2.gz UEHSRGSKEDWAQF-HNNXBMFYSA-N 1 0 403.461 -0.515 20 5 HBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502513700 1069616441 /nfs/dbraw/zinc/61/64/41/1069616441.db2.gz UEHSRGSKEDWAQF-OAHLLOKOSA-N 1 0 403.461 -0.515 20 5 HBBDRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503074428 1069646586 /nfs/dbraw/zinc/64/65/86/1069646586.db2.gz KNZHFARLSGATNW-CYBMUJFWSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503074431 1069647328 /nfs/dbraw/zinc/64/73/28/1069647328.db2.gz KNZHFARLSGATNW-ZDUSSCGKSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503121043 1069649270 /nfs/dbraw/zinc/64/92/70/1069649270.db2.gz VFFSVRMPARVVFK-CYBMUJFWSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503121046 1069649222 /nfs/dbraw/zinc/64/92/22/1069649222.db2.gz VFFSVRMPARVVFK-ZDUSSCGKSA-N 1 0 400.457 -0.260 20 5 HBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000504842685 1069743684 /nfs/dbraw/zinc/74/36/84/1069743684.db2.gz LFBXMYKDRNXSCP-HNNXBMFYSA-N 1 0 403.461 -0.527 20 5 HBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000504842686 1069743803 /nfs/dbraw/zinc/74/38/03/1069743803.db2.gz LFBXMYKDRNXSCP-OAHLLOKOSA-N 1 0 403.461 -0.527 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000505787991 1069969450 /nfs/dbraw/zinc/96/94/50/1069969450.db2.gz SSCPDLOXMDEWAI-UHFFFAOYSA-N 1 0 413.456 -0.004 20 5 HBBDRO CCS(=O)(=O)NCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000506745313 1070330553 /nfs/dbraw/zinc/33/05/53/1070330553.db2.gz ZNFPQMZPCIQXTB-UHFFFAOYSA-N 1 0 423.517 -0.214 20 5 HBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000506761133 1070338616 /nfs/dbraw/zinc/33/86/16/1070338616.db2.gz MNMFLNPXGQSWJJ-HNNXBMFYSA-N 1 0 403.461 -0.515 20 5 HBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000506761134 1070338512 /nfs/dbraw/zinc/33/85/12/1070338512.db2.gz MNMFLNPXGQSWJJ-OAHLLOKOSA-N 1 0 403.461 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C[C@H](CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])S(N)(=O)=O ZINC000537410636 1069358272 /nfs/dbraw/zinc/35/82/72/1069358272.db2.gz LTIVVGFYTINBQF-LLVKDONJSA-N 1 0 423.517 -0.086 20 5 HBBDRO C[C@@H](CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])S(N)(=O)=O ZINC000537410651 1069358392 /nfs/dbraw/zinc/35/83/92/1069358392.db2.gz LTIVVGFYTINBQF-NSHDSACASA-N 1 0 423.517 -0.086 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000538448487 1069668330 /nfs/dbraw/zinc/66/83/30/1069668330.db2.gz PNANIEHVOBWTTJ-UHFFFAOYSA-N 1 0 415.472 -0.295 20 5 HBBDRO C[C@@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])S(N)(=O)=O ZINC000539612253 1071291148 /nfs/dbraw/zinc/29/11/48/1071291148.db2.gz INWJHDQIYRQBND-JTQLQIEISA-N 1 0 409.490 -0.476 20 5 HBBDRO C[C@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])S(N)(=O)=O ZINC000539612254 1071291234 /nfs/dbraw/zinc/29/12/34/1071291234.db2.gz INWJHDQIYRQBND-SNVBAGLBSA-N 1 0 409.490 -0.476 20 5 HBBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539933963 1071314656 /nfs/dbraw/zinc/31/46/56/1071314656.db2.gz BVWCHRHUKGDACJ-UHFFFAOYSA-N 1 0 413.500 -0.031 20 5 HBBDRO CN(CC(C)(CO)CO)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540297060 1071339467 /nfs/dbraw/zinc/33/94/67/1071339467.db2.gz XFVKFTOOZTXGAF-UHFFFAOYSA-N 1 0 404.489 -0.138 20 5 HBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000541281693 1071442683 /nfs/dbraw/zinc/44/26/83/1071442683.db2.gz PUNKRRWBOUXSNL-FMKPAKJESA-N 1 0 415.468 -0.578 20 5 HBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000541281706 1071442805 /nfs/dbraw/zinc/44/28/05/1071442805.db2.gz PUNKRRWBOUXSNL-IIAWOOMASA-N 1 0 415.468 -0.578 20 5 HBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000541281710 1071442700 /nfs/dbraw/zinc/44/27/00/1071442700.db2.gz PUNKRRWBOUXSNL-IJEWVQPXSA-N 1 0 415.468 -0.578 20 5 HBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000541281713 1071442648 /nfs/dbraw/zinc/44/26/48/1071442648.db2.gz PUNKRRWBOUXSNL-YCPHGPKFSA-N 1 0 415.468 -0.578 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000541624900 1071462224 /nfs/dbraw/zinc/46/22/24/1071462224.db2.gz WCFYDDDFWGFRAK-AWEZNQCLSA-N 1 0 413.500 -0.045 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000541624901 1069222985 /nfs/dbraw/zinc/22/29/85/1069222985.db2.gz WCFYDDDFWGFRAK-CQSZACIVSA-N 1 0 413.500 -0.045 20 5 HBBDRO CNC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000541935392 1069256348 /nfs/dbraw/zinc/25/63/48/1069256348.db2.gz URNBXKREIJYUJD-HNNXBMFYSA-N 1 0 415.472 -0.614 20 5 HBBDRO CNC(=O)[C@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCO1 ZINC000541935393 1071490925 /nfs/dbraw/zinc/49/09/25/1071490925.db2.gz URNBXKREIJYUJD-OAHLLOKOSA-N 1 0 415.472 -0.614 20 5 HBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542505843 1071625840 /nfs/dbraw/zinc/62/58/40/1071625840.db2.gz NNCLVPXIIVWFAE-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000543003919 1069272447 /nfs/dbraw/zinc/27/24/47/1069272447.db2.gz JQWIAJWJFIQNFR-UHFFFAOYSA-N 1 0 407.427 -0.434 20 5 HBBDRO C[NH+](C)C1CN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000543434644 1069342481 /nfs/dbraw/zinc/34/24/81/1069342481.db2.gz CCRGDKVZDOVVMB-UHFFFAOYSA-N 1 0 413.500 -0.045 20 5 HBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543435189 1069342606 /nfs/dbraw/zinc/34/26/06/1069342606.db2.gz KUFNGOLXBKRMRG-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000544393904 1072009210 /nfs/dbraw/zinc/00/92/10/1072009210.db2.gz AINRBTYMZZGTKC-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO NS(=O)(=O)c1cccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000546049801 1072119354 /nfs/dbraw/zinc/11/93/54/1072119354.db2.gz JTWBPROEPORSLH-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000546053865 1072119826 /nfs/dbraw/zinc/11/98/26/1072119826.db2.gz CCFNYBGPXAHYTD-UHFFFAOYSA-N 1 0 401.445 -0.599 20 5 HBBDRO CCn1cc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c([N+](=O)[O-])n1 ZINC000546056028 1070060394 /nfs/dbraw/zinc/06/03/94/1070060394.db2.gz VHVWXQJAPWTGPX-UHFFFAOYSA-N 1 0 418.476 -0.778 20 5 HBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000547277058 1069177885 /nfs/dbraw/zinc/17/78/85/1069177885.db2.gz ZGISOGGCRYTMNO-NVXWUHKLSA-N 1 0 412.468 -0.069 20 5 HBBDRO CCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000549445195 1069084844 /nfs/dbraw/zinc/08/48/44/1069084844.db2.gz LFHPSQRSKMPCJD-UHFFFAOYSA-N 1 0 415.476 -0.870 20 5 HBBDRO CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000549520303 1069192148 /nfs/dbraw/zinc/19/21/48/1069192148.db2.gz NORWASXMKZNELO-GFCCVEGCSA-N 1 0 400.461 -0.262 20 5 HBBDRO CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000549520322 1069192174 /nfs/dbraw/zinc/19/21/74/1069192174.db2.gz NORWASXMKZNELO-LBPRGKRZSA-N 1 0 400.461 -0.262 20 5 HBBDRO COc1cc(CCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000550630913 1069401609 /nfs/dbraw/zinc/40/16/09/1069401609.db2.gz YNMOQWIDVQIGRS-AWEZNQCLSA-N 1 0 423.470 -0.367 20 5 HBBDRO COc1cc(CCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000550630914 1069401653 /nfs/dbraw/zinc/40/16/53/1069401653.db2.gz YNMOQWIDVQIGRS-CQSZACIVSA-N 1 0 423.470 -0.367 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000550836307 1069455704 /nfs/dbraw/zinc/45/57/04/1069455704.db2.gz LZAKEJMEYPXHMC-UHFFFAOYSA-N 1 0 415.516 -0.061 20 5 HBBDRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000551322695 1069536346 /nfs/dbraw/zinc/53/63/46/1069536346.db2.gz LRCWKYMTKNVESA-UHFFFAOYSA-N 1 0 408.459 -0.277 20 5 HBBDRO C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCN(C)CC1 ZINC000551482101 1069551167 /nfs/dbraw/zinc/55/11/67/1069551167.db2.gz FCZRCLZVXRBPPE-HNNXBMFYSA-N 1 0 421.502 -0.046 20 5 HBBDRO C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCN(C)CC1 ZINC000551482104 1069551058 /nfs/dbraw/zinc/55/10/58/1069551058.db2.gz FCZRCLZVXRBPPE-OAHLLOKOSA-N 1 0 421.502 -0.046 20 5 HBBDRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000551662464 1069570939 /nfs/dbraw/zinc/57/09/39/1069570939.db2.gz KORQIBZIZRXVNF-UHFFFAOYSA-N 1 0 420.470 -0.135 20 5 HBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000551826630 1069586808 /nfs/dbraw/zinc/58/68/08/1069586808.db2.gz GOXMBUYIACVQFQ-UHFFFAOYSA-N 1 0 403.395 -0.577 20 5 HBBDRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000553393900 1069954422 /nfs/dbraw/zinc/95/44/22/1069954422.db2.gz BEMCVHGZOYXHDI-AWEZNQCLSA-N 1 0 406.443 -0.525 20 5 HBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000553393901 1069954560 /nfs/dbraw/zinc/95/45/60/1069954560.db2.gz BEMCVHGZOYXHDI-CQSZACIVSA-N 1 0 406.443 -0.525 20 5 HBBDRO O=C1NC(=O)C2(CCC([NH2+]CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 ZINC000553456610 1069966679 /nfs/dbraw/zinc/96/66/79/1069966679.db2.gz GSPYUIYJXVQFDT-UHFFFAOYSA-N 1 0 411.440 -0.017 20 5 HBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000554040321 1069168739 /nfs/dbraw/zinc/16/87/39/1069168739.db2.gz LCMAZIMKGWTXCL-HNNXBMFYSA-N 1 0 404.471 -0.395 20 5 HBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000554040322 1069168832 /nfs/dbraw/zinc/16/88/32/1069168832.db2.gz LCMAZIMKGWTXCL-OAHLLOKOSA-N 1 0 404.471 -0.395 20 5 HBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000554043080 1069168781 /nfs/dbraw/zinc/16/87/81/1069168781.db2.gz IWMHAEVLVCBWFB-KRWDZBQOSA-N 1 0 404.471 -0.395 20 5 HBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000554043081 1070026201 /nfs/dbraw/zinc/02/62/01/1070026201.db2.gz IWMHAEVLVCBWFB-QGZVFWFLSA-N 1 0 404.471 -0.395 20 5 HBBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568968745 1069255984 /nfs/dbraw/zinc/25/59/84/1069255984.db2.gz RUNQVVBPGGPDBL-OAHLLOKOSA-N 1 0 420.470 -0.135 20 5 HBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000572016462 1070746889 /nfs/dbraw/zinc/74/68/89/1070746889.db2.gz WQXOUHMLXSHAQN-GXTWGEPZSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000572016463 1070746764 /nfs/dbraw/zinc/74/67/64/1070746764.db2.gz WQXOUHMLXSHAQN-JSGCOSHPSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000572016464 1070746680 /nfs/dbraw/zinc/74/66/80/1070746680.db2.gz WQXOUHMLXSHAQN-OCCSQVGLSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000572016465 1070746951 /nfs/dbraw/zinc/74/69/51/1070746951.db2.gz WQXOUHMLXSHAQN-TZMCWYRMSA-N 1 0 411.440 -0.966 20 5 HBBDRO Cc1c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000572445175 1069314081 /nfs/dbraw/zinc/31/40/81/1069314081.db2.gz XFULZNILPMGBLB-JTQLQIEISA-N 1 0 401.445 -0.653 20 5 HBBDRO O=C(c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1)N1CCNC(=O)C1 ZINC000579669612 1068406174 /nfs/dbraw/zinc/40/61/74/1068406174.db2.gz WPFOBUWSOCVSAJ-INIZCTEOSA-N 1 0 402.411 -0.486 20 5 HBBDRO O=C(c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1)N1CCNC(=O)C1 ZINC000579669613 1068405985 /nfs/dbraw/zinc/40/59/85/1068405985.db2.gz WPFOBUWSOCVSAJ-MRXNPFEDSA-N 1 0 402.411 -0.486 20 5 HBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000582736806 1068722891 /nfs/dbraw/zinc/72/28/91/1068722891.db2.gz JHKSCRBJTVQBRG-GXTWGEPZSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000582736807 1068723068 /nfs/dbraw/zinc/72/30/68/1068723068.db2.gz JHKSCRBJTVQBRG-JSGCOSHPSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000582736808 1068723029 /nfs/dbraw/zinc/72/30/29/1068723029.db2.gz JHKSCRBJTVQBRG-OCCSQVGLSA-N 1 0 411.440 -0.966 20 5 HBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000582736809 1068723134 /nfs/dbraw/zinc/72/31/34/1068723134.db2.gz JHKSCRBJTVQBRG-TZMCWYRMSA-N 1 0 411.440 -0.966 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000582937588 1068742545 /nfs/dbraw/zinc/74/25/45/1068742545.db2.gz WNWLXAMPPOPGFU-BLLLJJGKSA-N 1 0 402.473 -0.386 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000582937589 1068742460 /nfs/dbraw/zinc/74/24/60/1068742460.db2.gz WNWLXAMPPOPGFU-LRDDRELGSA-N 1 0 402.473 -0.386 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000582937590 1068742419 /nfs/dbraw/zinc/74/24/19/1068742419.db2.gz WNWLXAMPPOPGFU-MLGOLLRUSA-N 1 0 402.473 -0.386 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000582937591 1068742557 /nfs/dbraw/zinc/74/25/57/1068742557.db2.gz WNWLXAMPPOPGFU-WBMJQRKESA-N 1 0 402.473 -0.386 20 5 HBBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000588189613 1070736686 /nfs/dbraw/zinc/73/66/86/1070736686.db2.gz UIWPXSLZBRFVSO-OBJOEFQTSA-N 1 0 400.457 -0.215 20 5 HBBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000588189614 1070736661 /nfs/dbraw/zinc/73/66/61/1070736661.db2.gz UIWPXSLZBRFVSO-SCRDCRAPSA-N 1 0 400.457 -0.215 20 5 HBBDRO CN1CCN(S(=O)(=O)c2ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000589102081 1070764977 /nfs/dbraw/zinc/76/49/77/1070764977.db2.gz YXIFUXTUECLIHH-CYBMUJFWSA-N 1 0 401.489 -0.135 20 5 HBBDRO CN1CCN(S(=O)(=O)c2ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000589102086 1070764911 /nfs/dbraw/zinc/76/49/11/1070764911.db2.gz YXIFUXTUECLIHH-ZDUSSCGKSA-N 1 0 401.489 -0.135 20 5 HBBDRO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000590005365 1070794638 /nfs/dbraw/zinc/79/46/38/1070794638.db2.gz BJBPRHNVTQFPHP-FVQHAEBGSA-N 1 0 424.479 -0.402 20 5 HBBDRO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000590005414 1070794560 /nfs/dbraw/zinc/79/45/60/1070794560.db2.gz OKQYCCGSXGIZOT-FVQHAEBGSA-N 1 0 424.479 -0.402 20 5 HBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442876 1070810921 /nfs/dbraw/zinc/81/09/21/1070810921.db2.gz HRIJRWSNMHSGKM-DARAHFNDSA-N 1 0 424.479 -0.119 20 5 HBBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442890 1070811152 /nfs/dbraw/zinc/81/11/52/1070811152.db2.gz HRIJRWSNMHSGKM-LQKXBSAESA-N 1 0 424.479 -0.119 20 5 HBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590442893 1070811948 /nfs/dbraw/zinc/81/19/48/1070811948.db2.gz HRIJRWSNMHSGKM-SDADXPQNSA-N 1 0 424.479 -0.119 20 5 HBBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590442895 1070811629 /nfs/dbraw/zinc/81/16/29/1070811629.db2.gz HRIJRWSNMHSGKM-XRGAULLZSA-N 1 0 424.479 -0.119 20 5 HBBDRO C[NH+](C)[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000590553949 1070819833 /nfs/dbraw/zinc/81/98/33/1070819833.db2.gz MRTVETNLMLUMHQ-KBPBESRZSA-N 1 0 401.445 -0.823 20 5 HBBDRO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591887127 1070884266 /nfs/dbraw/zinc/88/42/66/1070884266.db2.gz LZLUEOUNKYWCOG-JSGCOSHPSA-N 1 0 400.457 -0.213 20 5 HBBDRO C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591887128 1070883678 /nfs/dbraw/zinc/88/36/78/1070883678.db2.gz LZLUEOUNKYWCOG-OCCSQVGLSA-N 1 0 400.457 -0.213 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000603476098 1070990513 /nfs/dbraw/zinc/99/05/13/1070990513.db2.gz WTERSALCOAWFER-UHFFFAOYSA-N 1 0 415.516 -0.061 20 5 HBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000603593014 1071000014 /nfs/dbraw/zinc/00/00/14/1071000014.db2.gz HWPWCHMYFAICGI-UHFFFAOYSA-N 1 0 405.411 -0.447 20 5 HBBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603909546 1071009790 /nfs/dbraw/zinc/00/97/90/1071009790.db2.gz CJBKKZGTHVPIJM-GASCZTMLSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603909549 1071009993 /nfs/dbraw/zinc/00/99/93/1071009993.db2.gz CJBKKZGTHVPIJM-GJZGRUSLSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603909550 1071010068 /nfs/dbraw/zinc/01/00/68/1071010068.db2.gz CJBKKZGTHVPIJM-HUUCEWRRSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603910176 1071010101 /nfs/dbraw/zinc/01/01/01/1071010101.db2.gz LXJMTAYKMOTABQ-GASCZTMLSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603910177 1071009951 /nfs/dbraw/zinc/00/99/51/1071009951.db2.gz LXJMTAYKMOTABQ-GJZGRUSLSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603910240 1071010361 /nfs/dbraw/zinc/01/03/61/1071010361.db2.gz LXJMTAYKMOTABQ-HUUCEWRRSA-N 1 0 423.495 -0.421 20 5 HBBDRO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000608903199 1071187358 /nfs/dbraw/zinc/18/73/58/1071187358.db2.gz IRFOORKLZCKASF-OAHLLOKOSA-N 1 0 412.468 -0.116 20 5 HBBDRO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000608903277 1071187448 /nfs/dbraw/zinc/18/74/48/1071187448.db2.gz PFFUHZLGMUTHEO-OAHLLOKOSA-N 1 0 412.468 -0.116 20 5 HBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609112265 1071356479 /nfs/dbraw/zinc/35/64/79/1071356479.db2.gz GWNAPYHXACANFE-UHFFFAOYSA-N 1 0 406.443 -0.374 20 5 HBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609170989 1071596116 /nfs/dbraw/zinc/59/61/16/1071596116.db2.gz BQDWUIONGBTWID-GFCCVEGCSA-N 1 0 417.422 -0.106 20 5 HBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609170990 1071596158 /nfs/dbraw/zinc/59/61/58/1071596158.db2.gz BQDWUIONGBTWID-LBPRGKRZSA-N 1 0 417.422 -0.106 20 5 HBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000609347648 1072059133 /nfs/dbraw/zinc/05/91/33/1072059133.db2.gz XLNLXUXNFFVDSK-GFCCVEGCSA-N 1 0 415.472 -0.119 20 5 HBBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000609347651 1072059174 /nfs/dbraw/zinc/05/91/74/1072059174.db2.gz XLNLXUXNFFVDSK-LBPRGKRZSA-N 1 0 415.472 -0.119 20 5 HBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000609351480 1072059769 /nfs/dbraw/zinc/05/97/69/1072059769.db2.gz ICMMTGRPJSSGHS-CYBMUJFWSA-N 1 0 403.395 -0.353 20 5 HBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000609351481 1072059796 /nfs/dbraw/zinc/05/97/96/1072059796.db2.gz ICMMTGRPJSSGHS-ZDUSSCGKSA-N 1 0 403.395 -0.353 20 5 HBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609352189 1072059293 /nfs/dbraw/zinc/05/92/93/1072059293.db2.gz OWNRKZKVXVVSFN-HNNXBMFYSA-N 1 0 406.443 -0.150 20 5 HBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609352194 1072059316 /nfs/dbraw/zinc/05/93/16/1072059316.db2.gz OWNRKZKVXVVSFN-OAHLLOKOSA-N 1 0 406.443 -0.150 20 5 HBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609530712 1072066049 /nfs/dbraw/zinc/06/60/49/1072066049.db2.gz YNRJIPDMORLUET-GFCCVEGCSA-N 1 0 414.488 -0.594 20 5 HBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609530722 1072066521 /nfs/dbraw/zinc/06/65/21/1072066521.db2.gz YNRJIPDMORLUET-LBPRGKRZSA-N 1 0 414.488 -0.594 20 5 HBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609681433 1072071853 /nfs/dbraw/zinc/07/18/53/1072071853.db2.gz JNKBJYBOXBUCEP-INIZCTEOSA-N 1 0 405.455 -0.153 20 5 HBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000609681434 1072071805 /nfs/dbraw/zinc/07/18/05/1072071805.db2.gz JNKBJYBOXBUCEP-MRXNPFEDSA-N 1 0 405.455 -0.153 20 5 HBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742356 1072072937 /nfs/dbraw/zinc/07/29/37/1072072937.db2.gz FGEJLTMEBZTTHJ-CYBMUJFWSA-N 1 0 414.488 -0.582 20 5 HBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609742357 1072072810 /nfs/dbraw/zinc/07/28/10/1072072810.db2.gz FGEJLTMEBZTTHJ-ZDUSSCGKSA-N 1 0 414.488 -0.582 20 5 HBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609920388 1072080122 /nfs/dbraw/zinc/08/01/22/1072080122.db2.gz JEYRXMDJJJSTOJ-CYBMUJFWSA-N 1 0 415.472 -0.107 20 5 HBBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609920389 1072080269 /nfs/dbraw/zinc/08/02/69/1072080269.db2.gz JEYRXMDJJJSTOJ-ZDUSSCGKSA-N 1 0 415.472 -0.107 20 5 HBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609920565 1072079747 /nfs/dbraw/zinc/07/97/47/1072079747.db2.gz QTMDFPAPOMQHBQ-CYBMUJFWSA-N 1 0 415.472 -0.107 20 5 HBBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609920566 1072080321 /nfs/dbraw/zinc/08/03/21/1072080321.db2.gz QTMDFPAPOMQHBQ-ZDUSSCGKSA-N 1 0 415.472 -0.107 20 5 HBBDRO CN(CC(=O)N1CCN(CC[NH+](C)C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609986049 1072082165 /nfs/dbraw/zinc/08/21/65/1072082165.db2.gz RDKZIPKWAPQWBS-UHFFFAOYSA-N 1 0 413.500 -0.079 20 5 HBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988643 1072082654 /nfs/dbraw/zinc/08/26/54/1072082654.db2.gz RMAUZTZWWFRYIZ-AWEZNQCLSA-N 1 0 413.500 -0.033 20 5 HBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988644 1072082559 /nfs/dbraw/zinc/08/25/59/1072082559.db2.gz RMAUZTZWWFRYIZ-CQSZACIVSA-N 1 0 413.500 -0.033 20 5 HBBDRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000609994047 1072082582 /nfs/dbraw/zinc/08/25/82/1072082582.db2.gz LZRYLVBNTUQXSS-AWEZNQCLSA-N 1 0 413.500 -0.033 20 5 HBBDRO C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000609994048 1072082750 /nfs/dbraw/zinc/08/27/50/1072082750.db2.gz LZRYLVBNTUQXSS-CQSZACIVSA-N 1 0 413.500 -0.033 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610144755 1072088108 /nfs/dbraw/zinc/08/81/08/1072088108.db2.gz CIEPYRXZYHFGQO-UHFFFAOYSA-N 1 0 415.472 -0.371 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610144885 1072088013 /nfs/dbraw/zinc/08/80/13/1072088013.db2.gz PKKVTFOGQXDWIX-UHFFFAOYSA-N 1 0 415.472 -0.371 20 5 HBBDRO C[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000610145898 1068413463 /nfs/dbraw/zinc/41/34/63/1068413463.db2.gz FPFWJZPYRGMNQE-UHFFFAOYSA-N 1 0 415.472 -0.371 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610588143 1068560150 /nfs/dbraw/zinc/56/01/50/1068560150.db2.gz GSNKEWFAXWTKFO-BETUJISGSA-N 1 0 402.473 -0.243 20 5 HBBDRO CS(=O)(=O)N1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610805394 1068597442 /nfs/dbraw/zinc/59/74/42/1068597442.db2.gz BTOOPUQNDGJKIO-UHFFFAOYSA-N 1 0 406.486 -0.113 20 5 HBBDRO CS(=O)(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610805587 1068596893 /nfs/dbraw/zinc/59/68/93/1068596893.db2.gz RPINOQMOFMXGHU-UHFFFAOYSA-N 1 0 406.486 -0.113 20 5 HBBDRO CS(=O)(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000611335929 1069710179 /nfs/dbraw/zinc/71/01/79/1069710179.db2.gz XZQQVMJBEKUZOT-UHFFFAOYSA-N 1 0 406.486 -0.113 20 5 HBBDRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000611623768 1068721949 /nfs/dbraw/zinc/72/19/49/1068721949.db2.gz NJDOFHFSSRYFQZ-HIFRSBDPSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000611623777 1068703257 /nfs/dbraw/zinc/70/32/57/1068703257.db2.gz NJDOFHFSSRYFQZ-ZFWWWQNUSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000611627343 1069311725 /nfs/dbraw/zinc/31/17/25/1069311725.db2.gz UPLARNWXXJTUPX-BZPMIXESSA-N 1 0 400.457 -0.215 20 5 HBBDRO C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000611627350 1068703200 /nfs/dbraw/zinc/70/32/00/1068703200.db2.gz UPLARNWXXJTUPX-DYEKYZERSA-N 1 0 400.457 -0.215 20 5 HBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000611627351 1068703896 /nfs/dbraw/zinc/70/38/96/1068703896.db2.gz UPLARNWXXJTUPX-OBJOEFQTSA-N 1 0 400.457 -0.215 20 5 HBBDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000611627352 1068703832 /nfs/dbraw/zinc/70/38/32/1068703832.db2.gz UPLARNWXXJTUPX-SCRDCRAPSA-N 1 0 400.457 -0.215 20 5 HBBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611635394 1068721864 /nfs/dbraw/zinc/72/18/64/1068721864.db2.gz CYXSHOZUTQXXKR-HIFRSBDPSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611635396 1068721670 /nfs/dbraw/zinc/72/16/70/1068721670.db2.gz CYXSHOZUTQXXKR-ZFWWWQNUSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611635427 1068705645 /nfs/dbraw/zinc/70/56/45/1068705645.db2.gz DXWMZMZCUGRFGE-GUTXKFCHSA-N 1 0 412.468 -0.213 20 5 HBBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611635431 1068705797 /nfs/dbraw/zinc/70/57/97/1068705797.db2.gz DXWMZMZCUGRFGE-IPYPFGDCSA-N 1 0 412.468 -0.213 20 5 HBBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611635432 1068705742 /nfs/dbraw/zinc/70/57/42/1068705742.db2.gz DXWMZMZCUGRFGE-NFAWXSAZSA-N 1 0 412.468 -0.213 20 5 HBBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611635433 1068705541 /nfs/dbraw/zinc/70/55/41/1068705541.db2.gz DXWMZMZCUGRFGE-YDHLFZDLSA-N 1 0 412.468 -0.213 20 5 HBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641370 1068707141 /nfs/dbraw/zinc/70/71/41/1068707141.db2.gz BCPNPPCFRMRLNV-GUTXKFCHSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641371 1068707339 /nfs/dbraw/zinc/70/73/39/1068707339.db2.gz BCPNPPCFRMRLNV-IPYPFGDCSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641372 1068707250 /nfs/dbraw/zinc/70/72/50/1068707250.db2.gz BCPNPPCFRMRLNV-NFAWXSAZSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611641373 1068707043 /nfs/dbraw/zinc/70/70/43/1068707043.db2.gz BCPNPPCFRMRLNV-YDHLFZDLSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611641905 1068707756 /nfs/dbraw/zinc/70/77/56/1068707756.db2.gz WOABQTPUFSPUNR-GUTXKFCHSA-N 1 0 412.468 -0.119 20 5 HBBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611641910 1068707953 /nfs/dbraw/zinc/70/79/53/1068707953.db2.gz WOABQTPUFSPUNR-IPYPFGDCSA-N 1 0 412.468 -0.119 20 5 HBBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611641912 1068707601 /nfs/dbraw/zinc/70/76/01/1068707601.db2.gz WOABQTPUFSPUNR-NFAWXSAZSA-N 1 0 412.468 -0.119 20 5 HBBDRO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611641914 1068707787 /nfs/dbraw/zinc/70/77/87/1068707787.db2.gz WOABQTPUFSPUNR-YDHLFZDLSA-N 1 0 412.468 -0.119 20 5 HBBDRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643459 1068707895 /nfs/dbraw/zinc/70/78/95/1068707895.db2.gz PEJPDOMBWHDPNL-GUTXKFCHSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643461 1068707916 /nfs/dbraw/zinc/70/79/16/1068707916.db2.gz PEJPDOMBWHDPNL-IPYPFGDCSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643462 1068707812 /nfs/dbraw/zinc/70/78/12/1068707812.db2.gz PEJPDOMBWHDPNL-NFAWXSAZSA-N 1 0 412.468 -0.071 20 5 HBBDRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611643463 1068707653 /nfs/dbraw/zinc/70/76/53/1068707653.db2.gz PEJPDOMBWHDPNL-YDHLFZDLSA-N 1 0 412.468 -0.071 20 5 HBBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653523 1068709001 /nfs/dbraw/zinc/70/90/01/1068709001.db2.gz CHLAMKUNTYMLHH-JSGCOSHPSA-N 1 0 400.457 -0.261 20 5 HBBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611653524 1068722392 /nfs/dbraw/zinc/72/23/92/1068722392.db2.gz CHLAMKUNTYMLHH-OCCSQVGLSA-N 1 0 400.457 -0.261 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000612451967 1068945346 /nfs/dbraw/zinc/94/53/46/1068945346.db2.gz UQCKNMWMRHZNHX-CHWSQXEVSA-N 1 0 402.473 -0.243 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000612451968 1068945377 /nfs/dbraw/zinc/94/53/77/1068945377.db2.gz UQCKNMWMRHZNHX-OLZOCXBDSA-N 1 0 402.473 -0.243 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000612451969 1068945111 /nfs/dbraw/zinc/94/51/11/1068945111.db2.gz UQCKNMWMRHZNHX-QWHCGFSZSA-N 1 0 402.473 -0.243 20 5 HBBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000612451970 1068944344 /nfs/dbraw/zinc/94/43/44/1068944344.db2.gz UQCKNMWMRHZNHX-STQMWFEESA-N 1 0 402.473 -0.243 20 5 HBBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCN(C[C@H](C)O)CC3)n2)CC1 ZINC000617947343 1072127829 /nfs/dbraw/zinc/12/78/29/1072127829.db2.gz PKVDVKJVEVOWBP-CVEARBPZSA-N 1 0 408.503 -0.005 20 5 HBBDRO C[C@@H](O)CN1CCN(c2nc(N3CC[NH+](C[C@H](C)O)CC3)ccc2[N+](=O)[O-])CC1 ZINC000617947344 1072127866 /nfs/dbraw/zinc/12/78/66/1072127866.db2.gz PKVDVKJVEVOWBP-JKSUJKDBSA-N 1 0 408.503 -0.005 20 5 HBBDRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727057875 1070715297 /nfs/dbraw/zinc/71/52/97/1070715297.db2.gz KEVICKCBGMDVBF-CYBMUJFWSA-N 1 0 400.457 -0.212 20 5 HBBDRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727057876 1070715365 /nfs/dbraw/zinc/71/53/65/1070715365.db2.gz KEVICKCBGMDVBF-ZDUSSCGKSA-N 1 0 400.457 -0.212 20 5 HBBDRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727058600 1069726021 /nfs/dbraw/zinc/72/60/21/1069726021.db2.gz QNWMCIPBXXGLKC-CYBMUJFWSA-N 1 0 400.457 -0.212 20 5 HBBDRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727058602 1069725863 /nfs/dbraw/zinc/72/58/63/1069725863.db2.gz QNWMCIPBXXGLKC-ZDUSSCGKSA-N 1 0 400.457 -0.212 20 5 HBBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000733895444 1069893826 /nfs/dbraw/zinc/89/38/26/1069893826.db2.gz DCRQXTLVAKADSQ-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO CN1CCN(S(=O)(=O)c2ccc(N3CCC([NH3+])(CO)CC3)c([N+](=O)[O-])c2)CC1 ZINC000733895748 1069893551 /nfs/dbraw/zinc/89/35/51/1069893551.db2.gz KDRNQPCLSRWZSJ-UHFFFAOYSA-N 1 0 413.500 -0.179 20 5 HBBDRO [NH3+]C1(CO)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000733896018 1069894288 /nfs/dbraw/zinc/89/42/88/1069894288.db2.gz WPORKBRPOCNLFG-UHFFFAOYSA-N 1 0 400.457 -0.094 20 5 HBBDRO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760888807 1070877052 /nfs/dbraw/zinc/87/70/52/1070877052.db2.gz LXYDKBNEVJEMMA-UHFFFAOYSA-N 1 0 416.438 -0.083 20 5 HBBDRO C[NH+](C)CC(=O)N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000771795463 1070279763 /nfs/dbraw/zinc/27/97/63/1070279763.db2.gz NEXOXNNSAJGNBQ-UHFFFAOYSA-N 1 0 418.498 -0.051 20 5 HBBDRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000771803197 1070280693 /nfs/dbraw/zinc/28/06/93/1070280693.db2.gz AUIJXAVHWGLMTA-INIZCTEOSA-N 1 0 412.468 -0.212 20 5 HBBDRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000771803199 1070280708 /nfs/dbraw/zinc/28/07/08/1070280708.db2.gz AUIJXAVHWGLMTA-MRXNPFEDSA-N 1 0 412.468 -0.212 20 5 HBBDRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812790 1070280590 /nfs/dbraw/zinc/28/05/90/1070280590.db2.gz JSSPGKRFOVEWLO-INIZCTEOSA-N 1 0 412.468 -0.212 20 5 HBBDRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812792 1070281113 /nfs/dbraw/zinc/28/11/13/1070281113.db2.gz JSSPGKRFOVEWLO-MRXNPFEDSA-N 1 0 412.468 -0.212 20 5 HBBDRO COC(=O)COc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000788960937 1070426651 /nfs/dbraw/zinc/42/66/51/1070426651.db2.gz ZSYVERLEUHSQLK-UHFFFAOYSA-N 1 0 417.440 -0.102 20 5 HBBDRO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789379441 1070437173 /nfs/dbraw/zinc/43/71/73/1070437173.db2.gz PQVUDHKAZDOHOT-IBGZPJMESA-N 1 0 416.438 -0.083 20 5 HBBDRO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789379452 1070437202 /nfs/dbraw/zinc/43/72/02/1070437202.db2.gz PQVUDHKAZDOHOT-LJQANCHMSA-N 1 0 416.438 -0.083 20 5 HBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806057142 1071067205 /nfs/dbraw/zinc/06/72/05/1071067205.db2.gz WDUWOMAWCJVDSJ-KRWDZBQOSA-N 1 0 404.471 -0.395 20 5 HBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806057143 1071067407 /nfs/dbraw/zinc/06/74/07/1071067407.db2.gz WDUWOMAWCJVDSJ-QGZVFWFLSA-N 1 0 404.471 -0.395 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1 ZINC000808044532 1070719691 /nfs/dbraw/zinc/71/96/91/1070719691.db2.gz YHOPYNIKMXEHAV-JTQLQIEISA-N 1 0 414.444 -0.523 20 5 HBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1 ZINC000808044533 1070719859 /nfs/dbraw/zinc/71/98/59/1070719859.db2.gz YHOPYNIKMXEHAV-SNVBAGLBSA-N 1 0 414.444 -0.523 20 5 HBBDRO CNC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000808047877 1070719880 /nfs/dbraw/zinc/71/98/80/1070719880.db2.gz BSRROQFUEHTBHO-AWEZNQCLSA-N 1 0 403.461 -0.656 20 5 HBBDRO CNC(=O)[C@H](O)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000808047879 1070719936 /nfs/dbraw/zinc/71/99/36/1070719936.db2.gz BSRROQFUEHTBHO-CQSZACIVSA-N 1 0 403.461 -0.656 20 5 HBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000808221135 1070725768 /nfs/dbraw/zinc/72/57/68/1070725768.db2.gz DHLJHCRHYUREID-GFCCVEGCSA-N 1 0 415.472 -0.383 20 5 HBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000808221136 1070725688 /nfs/dbraw/zinc/72/56/88/1070725688.db2.gz DHLJHCRHYUREID-LBPRGKRZSA-N 1 0 415.472 -0.383 20 5 HBBDRO CC(C)(O)C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001136523109 1071005408 /nfs/dbraw/zinc/00/54/08/1071005408.db2.gz JELITNHOBOEXBM-UHFFFAOYSA-N 1 0 400.457 -0.212 20 5 HBBDRO C[NH+](C)CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC001137204202 1071903199 /nfs/dbraw/zinc/90/31/99/1071903199.db2.gz AOUNIKGFBLTTFI-CYBMUJFWSA-N 1 0 400.457 -0.276 20 5 HBBDRO C[NH+](C)CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC001137204203 1071902999 /nfs/dbraw/zinc/90/29/99/1071902999.db2.gz AOUNIKGFBLTTFI-ZDUSSCGKSA-N 1 0 400.457 -0.276 20 5 HBBDRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC001144209423 1071041476 /nfs/dbraw/zinc/04/14/76/1071041476.db2.gz GMDMYJJMOSQACR-AWEZNQCLSA-N 1 0 413.500 -0.127 20 5 HBBDRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC001144209424 1071041514 /nfs/dbraw/zinc/04/15/14/1071041514.db2.gz GMDMYJJMOSQACR-CQSZACIVSA-N 1 0 413.500 -0.127 20 5 HBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001146782375 1071099084 /nfs/dbraw/zinc/09/90/84/1071099084.db2.gz NZMSXDRRZIFTOD-UHFFFAOYSA-N 1 0 415.472 -0.649 20 5 HBBDRO COCCN1CCN(C)C2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)C1=O ZINC001164644973 719285482 /nfs/dbraw/zinc/28/54/82/719285482.db2.gz YKZQYXUXAFNSEC-UHFFFAOYSA-N 1 0 419.486 -0.169 20 5 HBBDRO O=[N+]([O-])c1cnc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1C1C[NH2+]C1 ZINC001164688009 719592419 /nfs/dbraw/zinc/59/24/19/719592419.db2.gz SMWODTMGJJKIGL-UHFFFAOYSA-N 1 0 401.431 -0.485 20 5 HBBDRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)C1 ZINC001164721018 720310296 /nfs/dbraw/zinc/31/02/96/720310296.db2.gz CTEIHOYDMPTVNG-IBGZPJMESA-N 1 0 419.486 -0.264 20 5 HBBDRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)C1 ZINC001164721019 720309569 /nfs/dbraw/zinc/30/95/69/720309569.db2.gz CTEIHOYDMPTVNG-LJQANCHMSA-N 1 0 419.486 -0.264 20 5 HBBDRO CCOC(=O)[C@@H]1NCCc2ncn(-c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])c21 ZINC001167219440 1068303579 /nfs/dbraw/zinc/30/35/79/1068303579.db2.gz CPRPGVNTUFTZAL-GFCCVEGCSA-N 1 0 402.415 -0.270 20 5 HBBDRO CCOC(=O)[C@H]1NCCc2ncn(-c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])c21 ZINC001167219441 1068303960 /nfs/dbraw/zinc/30/39/60/1068303960.db2.gz CPRPGVNTUFTZAL-LBPRGKRZSA-N 1 0 402.415 -0.270 20 5 HBBDRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1O ZINC001168984414 1070123938 /nfs/dbraw/zinc/12/39/38/1070123938.db2.gz NECXOCRPNUFLMN-CHDCVOSJSA-N 1 0 421.458 -0.454 20 5 HBBDRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1O ZINC001168984415 1070123821 /nfs/dbraw/zinc/12/38/21/1070123821.db2.gz NECXOCRPNUFLMN-NVZKKKRGSA-N 1 0 421.458 -0.454 20 5 HBBDRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1O ZINC001168984416 1070123766 /nfs/dbraw/zinc/12/37/66/1070123766.db2.gz NECXOCRPNUFLMN-RGFYEGLYSA-N 1 0 421.458 -0.454 20 5 HBBDRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1O ZINC001168984417 1070123869 /nfs/dbraw/zinc/12/38/69/1070123869.db2.gz NECXOCRPNUFLMN-RJQJLZBDSA-N 1 0 421.458 -0.454 20 5 HBBDRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169005905 1070125497 /nfs/dbraw/zinc/12/54/97/1070125497.db2.gz DGMKIEOGZYJAFL-IMNPFHOJSA-N 1 0 408.455 -0.311 20 5 HBBDRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169005908 1070125560 /nfs/dbraw/zinc/12/55/60/1070125560.db2.gz DGMKIEOGZYJAFL-PTBVWIJOSA-N 1 0 408.455 -0.311 20 5 HBBDRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169005910 1070125392 /nfs/dbraw/zinc/12/53/92/1070125392.db2.gz DGMKIEOGZYJAFL-RGTXSCMUSA-N 1 0 408.455 -0.311 20 5 HBBDRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169005912 1070125434 /nfs/dbraw/zinc/12/54/34/1070125434.db2.gz DGMKIEOGZYJAFL-WKOIVZFLSA-N 1 0 408.455 -0.311 20 5 HBBDRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315841 1070513906 /nfs/dbraw/zinc/51/39/06/1070513906.db2.gz YPJULHQLJRDOAE-GFCCVEGCSA-N 1 0 410.427 -0.081 20 5 HBBDRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315847 1070514052 /nfs/dbraw/zinc/51/40/52/1070514052.db2.gz YPJULHQLJRDOAE-LBPRGKRZSA-N 1 0 410.427 -0.081 20 5 HBBDRO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170323609 1070513782 /nfs/dbraw/zinc/51/37/82/1070513782.db2.gz GMHXCCZGMNBIPN-BBRMVZONSA-N 1 0 412.468 -0.117 20 5 HBBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170325856 1070514070 /nfs/dbraw/zinc/51/40/70/1070514070.db2.gz ATNJWHWGCMUTEM-DOMZBBRYSA-N 1 0 421.454 -0.284 20 5 HBBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c([N+](=O)[O-])c1 ZINC001170325857 1070513937 /nfs/dbraw/zinc/51/39/37/1070513937.db2.gz ATNJWHWGCMUTEM-WFASDCNBSA-N 1 0 421.454 -0.284 20 5 HBBDRO COc1ccc(C[C@H](C)[NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170326646 1070513871 /nfs/dbraw/zinc/51/38/71/1070513871.db2.gz BBUQLENGXUTHNZ-LUFFBSKZSA-N 1 0 400.428 -0.032 20 5 HBBDRO COc1ccc(C[C@@H](C)[NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170326647 1070514097 /nfs/dbraw/zinc/51/40/97/1070514097.db2.gz BBUQLENGXUTHNZ-XXCFNGTNSA-N 1 0 400.428 -0.032 20 5 HBBDRO COC(=O)C(C(=O)OC)c1ncc(NCCOCCOCC[NH3+])cc1[N+](=O)[O-] ZINC001170508405 1070640790 /nfs/dbraw/zinc/64/07/90/1070640790.db2.gz RWVFCZCNIJVQRL-UHFFFAOYSA-N 1 0 400.388 -0.177 20 5 HBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cnc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c1 ZINC001170873403 1070966516 /nfs/dbraw/zinc/96/65/16/1070966516.db2.gz AJDVLABMRFTGAO-GHMZBOCLSA-N 1 0 410.383 -0.018 20 5 HBBDRO CC[N+](C)(C)Cc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171264472 1071077645 /nfs/dbraw/zinc/07/76/45/1071077645.db2.gz IAASOIWKJDJDQJ-NXWXRZEISA-O 1 0 404.491 -0.005 20 5 HBBDRO [NH3+][C@H]1[C@H](n2ccc(N=c3ccc4ns[nH]c-4c3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171264769 1071079121 /nfs/dbraw/zinc/07/91/21/1071079121.db2.gz WKCMUOSTEDGHRY-KNJXUWEQSA-N 1 0 421.395 -0.688 20 5 HBBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2)c(F)c1 ZINC001173008175 1071183208 /nfs/dbraw/zinc/18/32/08/1071183208.db2.gz PAYBQSPUNRGWMV-HSMRXVHUSA-N 1 0 419.381 -0.769 20 5 HBBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)c(F)c1 ZINC001173008176 1071182993 /nfs/dbraw/zinc/18/29/93/1071182993.db2.gz PAYBQSPUNRGWMV-PVTMVUMOSA-N 1 0 419.381 -0.769 20 5 HBBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001173220067 1071184128 /nfs/dbraw/zinc/18/41/28/1071184128.db2.gz SRAJHERIFOSVTP-LLUBIPCPSA-N 1 0 406.395 -0.303 20 5 HBBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001173220068 1071183896 /nfs/dbraw/zinc/18/38/96/1071183896.db2.gz SRAJHERIFOSVTP-PHJVOLQISA-N 1 0 406.395 -0.303 20 5 HBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001173690076 1071191422 /nfs/dbraw/zinc/19/14/22/1071191422.db2.gz CKABCWDAJSEJNY-ZPUIDXCVSA-N 1 0 415.468 -0.560 20 5 HBBDRO CS(=O)(=O)N(CC[NH3+])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690392 1071191406 /nfs/dbraw/zinc/19/14/06/1071191406.db2.gz PSQZQJUGDTYDKR-UHFFFAOYSA-N 1 0 406.486 -0.032 20 5 HBBDRO CS(=O)(=O)N1CC([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173691143 1071191431 /nfs/dbraw/zinc/19/14/31/1071191431.db2.gz JPIKLADWTWFRKL-UHFFFAOYSA-N 1 0 418.497 -0.019 20 5 HBBDRO CN(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)S(=O)(=O)CC[NH3+] ZINC001173692826 1071191299 /nfs/dbraw/zinc/19/12/99/1071191299.db2.gz PQTIWHPSITXFIF-UHFFFAOYSA-N 1 0 406.486 -0.032 20 5 HBBDRO COC(=O)CNC(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693846 1071191394 /nfs/dbraw/zinc/19/13/94/1071191394.db2.gz BGBNRJKASSWQRO-UHFFFAOYSA-N 1 0 414.440 -0.373 20 5 HBBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)NCC(N)=O ZINC001173698606 1071191416 /nfs/dbraw/zinc/19/14/16/1071191416.db2.gz YHRKUPGMYIAELP-NSHDSACASA-N 1 0 413.456 -0.673 20 5 HBBDRO CS(=O)(=O)N(C1C[NH2+]C1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173706012 1071191442 /nfs/dbraw/zinc/19/14/42/1071191442.db2.gz XLJFJLZCFZLOCW-UHFFFAOYSA-N 1 0 418.497 -0.019 20 5 HBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176533031 1071228015 /nfs/dbraw/zinc/22/80/15/1071228015.db2.gz DENUSYOMSXPUNU-LSDHHAIUSA-N 1 0 412.468 -0.069 20 5 HBBDRO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC001178973859 1071305311 /nfs/dbraw/zinc/30/53/11/1071305311.db2.gz BJLZUMWWSMLIEZ-UHFFFAOYSA-N 1 0 413.500 -0.031 20 5 HBBDRO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001194385649 1071701821 /nfs/dbraw/zinc/70/18/21/1071701821.db2.gz RVRUDQSMLNWGGZ-BBRMVZONSA-N 1 0 412.468 -0.117 20 5 HBBDRO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001196142650 1071734110 /nfs/dbraw/zinc/73/41/10/1071734110.db2.gz PPKDMESOTLWQCW-KBXCAEBGSA-N 1 0 424.479 -0.116 20 5 HBBDRO COC(=O)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+](C)C1 ZINC001299451780 1071917816 /nfs/dbraw/zinc/91/78/16/1071917816.db2.gz HNCBNAJMKNQJFT-LLVKDONJSA-N 1 0 404.379 -0.246 20 5 HBBDRO COC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+](C)C1 ZINC001299451787 1071917712 /nfs/dbraw/zinc/91/77/12/1071917712.db2.gz HNCBNAJMKNQJFT-NSHDSACASA-N 1 0 404.379 -0.246 20 5 HBBDRO COC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC001299455772 1071918364 /nfs/dbraw/zinc/91/83/64/1071918364.db2.gz HWXSILGCEBQZFJ-AWEZNQCLSA-N 1 0 407.427 -0.043 20 5 HBBDRO COC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC001299455773 1071918501 /nfs/dbraw/zinc/91/85/01/1071918501.db2.gz HWXSILGCEBQZFJ-CQSZACIVSA-N 1 0 407.427 -0.043 20 5 HBBDRO