smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)o1 ZINC000735939282 944720070 /nfs/dbraw/zinc/72/00/70/944720070.db2.gz MWWFCMRNZYJVMU-UHFFFAOYSA-N 0 2 385.348 -0.494 20 50 GBGDLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NNC(=O)c1cnn(C)c1 ZINC000737201447 944982313 /nfs/dbraw/zinc/98/23/13/944982313.db2.gz SHINUSYXOMEOLY-UHFFFAOYSA-N 0 2 385.388 -0.289 20 50 GBGDLN NC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737758642 945123025 /nfs/dbraw/zinc/12/30/25/945123025.db2.gz AZXSHFCVEKBUAM-UHFFFAOYSA-N 0 2 387.381 -0.133 20 50 GBGDLN CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)Cn2cnc(-c3nn[nH]n3)n2)o1 ZINC000821196544 945651589 /nfs/dbraw/zinc/65/15/89/945651589.db2.gz AANGMQSCPSZAIA-UHFFFAOYSA-N 0 2 388.392 -0.646 20 50 GBGDLN CCc1nn(CC(=O)NNC(=O)C(C)(C)C)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821518325 945711621 /nfs/dbraw/zinc/71/16/21/945711621.db2.gz SVNFVWLBGHABNN-UHFFFAOYSA-N 0 2 376.421 -0.258 20 50 GBGDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NNC(=O)C(C)(C)C)c1 ZINC000821666812 945785524 /nfs/dbraw/zinc/78/55/24/945785524.db2.gz HIFKBACCTZMUOV-UHFFFAOYSA-N 0 2 377.361 -0.992 20 50 GBGDLN CSc1[nH]c(=O)c(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1-c1nn[nH]n1 ZINC000821977219 945912870 /nfs/dbraw/zinc/91/28/70/945912870.db2.gz FEIUPBALRVROOB-UHFFFAOYSA-N 0 2 375.374 -0.204 20 50 GBGDLN Cc1cccc(C(=O)NNC(=O)Cn2nc(C)c(C)c(-c3nn[nH]n3)c2=O)c1 ZINC000822283800 946042339 /nfs/dbraw/zinc/04/23/39/946042339.db2.gz DDRCDARWEFKEAG-UHFFFAOYSA-N 0 2 382.384 -0.190 20 50 GBGDLN Cc1ccccc1CC(=O)NNC(=O)Cn1nc(C)c(C)c(-c2nn[nH]n2)c1=O ZINC000822355898 946066544 /nfs/dbraw/zinc/06/65/44/946066544.db2.gz AMJLOAAFBYLIIJ-UHFFFAOYSA-N 0 2 396.411 -0.261 20 50 GBGDLN Cc1n[nH]c(SCC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822418916 946084345 /nfs/dbraw/zinc/08/43/45/946084345.db2.gz JMQUOOTVDQYEQD-UHFFFAOYSA-N 0 2 389.401 -0.388 20 50 GBGDLN O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000823131565 946325896 /nfs/dbraw/zinc/32/58/96/946325896.db2.gz JYUDSCIRWAGFJG-UHFFFAOYSA-N 0 2 379.344 -0.691 20 50 GBGDLN O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1ccc(Br)s1 ZINC000823132082 946327574 /nfs/dbraw/zinc/32/75/74/946327574.db2.gz YUODQTXZTFDDFY-UHFFFAOYSA-N 0 2 398.206 -0.257 20 50 GBGDLN O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1csc(N2CCOCC2)n1 ZINC000823277522 946404256 /nfs/dbraw/zinc/40/42/56/946404256.db2.gz OMJDRWYUTBGHNQ-UHFFFAOYSA-N 0 2 389.401 -0.437 20 50 GBGDLN CC(=O)NCCNC(=O)CCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823995025 608576931 /nfs/dbraw/zinc/57/69/31/608576931.db2.gz XIAWTBWMWKJMQY-UHFFFAOYSA-N 0 2 395.811 -0.609 20 50 GBGDLN CC(C)NC(=O)CN(C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824300939 608574259 /nfs/dbraw/zinc/57/42/59/608574259.db2.gz NLXMDXIYKPQTRN-UHFFFAOYSA-N 0 2 381.828 -0.185 20 50 GBGDLN CC1(C)C(=O)NC(=O)N1CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824784416 608624888 /nfs/dbraw/zinc/62/48/88/608624888.db2.gz SKUZGJGXRCTUEB-UHFFFAOYSA-N 0 2 379.768 -0.311 20 50 GBGDLN CC1(C)NC(=O)N(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1=O ZINC000824813248 608629237 /nfs/dbraw/zinc/62/92/37/608629237.db2.gz WRZOJXZWTAPJKQ-UHFFFAOYSA-N 0 2 379.768 -0.311 20 50 GBGDLN CCN1CCN(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C(=O)C1=O ZINC000825458719 608579524 /nfs/dbraw/zinc/57/95/24/608579524.db2.gz DTGRJFLLLKHNJU-UHFFFAOYSA-N 0 2 393.795 -0.951 20 50 GBGDLN CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090063 607894015 /nfs/dbraw/zinc/89/40/15/607894015.db2.gz CFHUJMBEUOAXNZ-UHFFFAOYSA-N 0 2 391.369 -0.557 20 50 GBGDLN CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090181 607889693 /nfs/dbraw/zinc/88/96/93/607889693.db2.gz DBDUKHGUCDPXDG-UHFFFAOYSA-N 0 2 391.369 -0.557 20 50 GBGDLN COCCN1C[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1=O ZINC000826159570 608573511 /nfs/dbraw/zinc/57/35/11/608573511.db2.gz KFZCGFFUZJDXRC-SECBINFHSA-N 0 2 380.796 -0.147 20 50 GBGDLN COCCN1C[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1=O ZINC000826159571 608573334 /nfs/dbraw/zinc/57/33/34/608573334.db2.gz KFZCGFFUZJDXRC-VIFPVBQESA-N 0 2 380.796 -0.147 20 50 GBGDLN COCCS(=O)(=O)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826163565 608573290 /nfs/dbraw/zinc/57/32/90/608573290.db2.gz ZYIIKZOMKJMWOP-UHFFFAOYSA-N 0 2 375.798 -0.581 20 50 GBGDLN CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826223614 608578474 /nfs/dbraw/zinc/57/84/74/608578474.db2.gz TWOKPXIBDMBSRB-MRVPVSSYSA-N 0 2 386.825 -0.218 20 50 GBGDLN CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826223615 608578489 /nfs/dbraw/zinc/57/84/89/608578489.db2.gz TWOKPXIBDMBSRB-QMMMGPOBSA-N 0 2 386.825 -0.218 20 50 GBGDLN Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc(-c4nn[nH]n4)n3)[nH]n2)cc1 ZINC000826273142 608106747 /nfs/dbraw/zinc/10/67/47/608106747.db2.gz RESDDYPNAFOSLK-UHFFFAOYSA-N 0 2 393.371 -0.382 20 50 GBGDLN Cc1nnc(CN(C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)n1C ZINC000826335687 608574632 /nfs/dbraw/zinc/57/46/32/608574632.db2.gz XEWWKSJIENFNQC-UHFFFAOYSA-N 0 2 391.827 -0.073 20 50 GBGDLN Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826362047 948133511 /nfs/dbraw/zinc/13/35/11/948133511.db2.gz AZACDTHOSHDEIR-UHFFFAOYSA-N 0 2 397.808 -0.342 20 50 GBGDLN NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826394341 607958944 /nfs/dbraw/zinc/95/89/44/607958944.db2.gz GNDRQCBWRKNMOV-UHFFFAOYSA-N 0 2 377.342 -0.818 20 50 GBGDLN NS(=O)(=O)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cn1 ZINC000826394688 608579855 /nfs/dbraw/zinc/57/98/55/608579855.db2.gz UQHUBRDHVZAWKR-UHFFFAOYSA-N 0 2 395.792 -0.286 20 50 GBGDLN NS(=O)(=O)c1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)co1 ZINC000826394750 608578925 /nfs/dbraw/zinc/57/89/25/608578925.db2.gz XKZHEOLIGFROKH-UHFFFAOYSA-N 0 2 384.765 -0.088 20 50 GBGDLN NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826394759 607958864 /nfs/dbraw/zinc/95/88/64/607958864.db2.gz XSZGANUJVVMDAI-UHFFFAOYSA-N 0 2 377.342 -0.818 20 50 GBGDLN Nc1ncnc2c1ncn2CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826397187 608577748 /nfs/dbraw/zinc/57/77/48/608577748.db2.gz WQLYRZHDLICHHG-UHFFFAOYSA-N 0 2 386.767 -0.220 20 50 GBGDLN O=C(CCC(=O)N1CCOCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404512 608573875 /nfs/dbraw/zinc/57/38/75/608573875.db2.gz CLXZMVWMBYRTTC-UHFFFAOYSA-N 0 2 380.796 -0.003 20 50 GBGDLN O=C(CCCN1C(=O)CNC1=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826406238 608628106 /nfs/dbraw/zinc/62/81/06/608628106.db2.gz NRTPDGTWGWNZPE-UHFFFAOYSA-N 0 2 379.768 -0.310 20 50 GBGDLN O=C(CCN1CCCS1(=O)=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826407427 608577718 /nfs/dbraw/zinc/57/77/18/608577718.db2.gz MPNGFJCHHCPBBK-UHFFFAOYSA-N 0 2 386.825 -0.216 20 50 GBGDLN O=C(CN1CCS(=O)(=O)CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826411074 948247716 /nfs/dbraw/zinc/24/77/16/948247716.db2.gz KCCGWZNHHTUQCR-UHFFFAOYSA-N 0 2 386.825 -0.911 20 50 GBGDLN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)C(F)(F)C1(O)CCC1 ZINC000826417233 608392232 /nfs/dbraw/zinc/39/22/32/608392232.db2.gz JMOWGRSIVPHLSC-UHFFFAOYSA-N 0 2 382.327 -0.057 20 50 GBGDLN O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000826425505 608108570 /nfs/dbraw/zinc/10/85/70/608108570.db2.gz HGWLPNUAABQSCL-UHFFFAOYSA-N 0 2 397.334 -0.551 20 50 GBGDLN O=C(Cn1nc2ccccn2c1=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826425634 608628722 /nfs/dbraw/zinc/62/87/22/608628722.db2.gz LZLWKYCMEHDUKK-UHFFFAOYSA-N 0 2 386.763 -0.132 20 50 GBGDLN O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000826425732 608108165 /nfs/dbraw/zinc/10/81/65/608108165.db2.gz QSUPLAGPRFPJTE-UHFFFAOYSA-N 0 2 385.373 -0.629 20 50 GBGDLN O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1csc(N2CCOCC2)n1 ZINC000826445128 607683496 /nfs/dbraw/zinc/68/34/96/607683496.db2.gz HZCWOMVGFWEEAV-UHFFFAOYSA-N 0 2 389.401 -0.437 20 50 GBGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=NN(CCO)C(=O)CC1 ZINC000826445156 608630719 /nfs/dbraw/zinc/63/07/19/608630719.db2.gz IZXRLIYTXDILKQ-UHFFFAOYSA-N 0 2 379.768 -0.671 20 50 GBGDLN O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826445556 609411415 /nfs/dbraw/zinc/41/14/15/609411415.db2.gz YRYABMFHNLTRDT-UHFFFAOYSA-N 0 2 389.401 -0.437 20 50 GBGDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000828315778 603563856 /nfs/dbraw/zinc/56/38/56/603563856.db2.gz DSFUFQCSKLCEKN-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000828315778 603563844 /nfs/dbraw/zinc/56/38/44/603563844.db2.gz DSFUFQCSKLCEKN-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN C[N@H+](CCN1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000828315778 603563841 /nfs/dbraw/zinc/56/38/41/603563841.db2.gz DSFUFQCSKLCEKN-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000828316936 603563570 /nfs/dbraw/zinc/56/35/70/603563570.db2.gz YUDHRFGULROHLM-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000828316936 603563567 /nfs/dbraw/zinc/56/35/67/603563567.db2.gz YUDHRFGULROHLM-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN C[N@H+](CCN1CCN(C(=O)[O-])CC1)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000828316936 603563564 /nfs/dbraw/zinc/56/35/64/603563564.db2.gz YUDHRFGULROHLM-UHFFFAOYSA-N 0 2 388.428 -0.453 20 50 GBGDLN Cc1cccc(C(=O)NNC(=O)CN(C)CC[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000830464932 603564027 /nfs/dbraw/zinc/56/40/27/603564027.db2.gz FOLSORGRMKTCKF-UHFFFAOYSA-N 0 2 377.445 -0.017 20 50 GBGDLN Cc1cccc(C(=O)NNC(=O)C[N@@H+](C)CCN2CCN(C(=O)[O-])CC2)c1 ZINC000830464932 603564024 /nfs/dbraw/zinc/56/40/24/603564024.db2.gz FOLSORGRMKTCKF-UHFFFAOYSA-N 0 2 377.445 -0.017 20 50 GBGDLN Cc1cccc(C(=O)NNC(=O)C[N@H+](C)CCN2CCN(C(=O)[O-])CC2)c1 ZINC000830464932 603564019 /nfs/dbraw/zinc/56/40/19/603564019.db2.gz FOLSORGRMKTCKF-UHFFFAOYSA-N 0 2 377.445 -0.017 20 50 GBGDLN Cc1ccccc1CC(=O)NNC(=O)CN(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000830567709 605154522 /nfs/dbraw/zinc/15/45/22/605154522.db2.gz SKKPRMBYNCEHDW-UHFFFAOYSA-N 0 2 391.472 -0.088 20 50 GBGDLN Cc1ccccc1CC(=O)NNC(=O)C[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000830567709 605154521 /nfs/dbraw/zinc/15/45/21/605154521.db2.gz SKKPRMBYNCEHDW-UHFFFAOYSA-N 0 2 391.472 -0.088 20 50 GBGDLN Cc1ccccc1CC(=O)NNC(=O)C[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000830567709 605154520 /nfs/dbraw/zinc/15/45/20/605154520.db2.gz SKKPRMBYNCEHDW-UHFFFAOYSA-N 0 2 391.472 -0.088 20 50 GBGDLN O=C([O-])NC1CC[NH+](CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000832386950 605595037 /nfs/dbraw/zinc/59/50/37/605595037.db2.gz UEADVLCYZISUEM-UHFFFAOYSA-N 0 2 378.385 -0.049 20 50 GBGDLN O=C([O-])NCC(=O)NNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000834201840 605503723 /nfs/dbraw/zinc/50/37/23/605503723.db2.gz LNZFURUJPNKYDZ-UHFFFAOYSA-N 0 2 392.416 -0.313 20 50 GBGDLN O=C([O-])NCCCC(=O)NNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000834231549 605812621 /nfs/dbraw/zinc/81/26/21/605812621.db2.gz MDVOWLZBBRTCLI-HNNXBMFYSA-N 0 2 389.478 -0.428 20 50 GBGDLN O=C([O-])NCCCC(=O)NNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000834231555 605812308 /nfs/dbraw/zinc/81/23/08/605812308.db2.gz MDVOWLZBBRTCLI-OAHLLOKOSA-N 0 2 389.478 -0.428 20 50 GBGDLN O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](CC(=O)NNC(=O)c3ccccc3)CC2)C1 ZINC001594692260 956754537 /nfs/dbraw/zinc/75/45/37/956754537.db2.gz AEMUNFKXULGMRN-AWEZNQCLSA-N 0 2 388.424 -0.155 20 50 GBGDLN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](CC(=O)NNC(=O)c3ccccc3)CC2)C1 ZINC001594692261 956754946 /nfs/dbraw/zinc/75/49/46/956754946.db2.gz AEMUNFKXULGMRN-CQSZACIVSA-N 0 2 388.424 -0.155 20 50 GBGDLN COC(C[N@@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1ccc(C#N)cc1)OC ZINC001599048144 999166365 /nfs/dbraw/zinc/16/63/65/999166365.db2.gz ORHWHLVKFMPRCH-UHFFFAOYSA-N 0 2 378.385 -0.285 20 50 GBGDLN COC(C[N@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1ccc(C#N)cc1)OC ZINC001599048144 999166362 /nfs/dbraw/zinc/16/63/62/999166362.db2.gz ORHWHLVKFMPRCH-UHFFFAOYSA-N 0 2 378.385 -0.285 20 50 GBGDLN COC(C[N@@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1)OC ZINC001599048189 999166738 /nfs/dbraw/zinc/16/67/38/999166738.db2.gz PJOYNWCONLYSFM-UHFFFAOYSA-N 0 2 378.385 -0.285 20 50 GBGDLN COC(C[N@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1)OC ZINC001599048189 999166736 /nfs/dbraw/zinc/16/67/36/999166736.db2.gz PJOYNWCONLYSFM-UHFFFAOYSA-N 0 2 378.385 -0.285 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599578535 998488092 /nfs/dbraw/zinc/48/80/92/998488092.db2.gz DHQMEXJDZHIRSF-GXSJLCMTSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599578535 998488088 /nfs/dbraw/zinc/48/80/88/998488088.db2.gz DHQMEXJDZHIRSF-GXSJLCMTSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599578536 998487353 /nfs/dbraw/zinc/48/73/53/998487353.db2.gz DHQMEXJDZHIRSF-KOLCDFICSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599578536 998487345 /nfs/dbraw/zinc/48/73/45/998487345.db2.gz DHQMEXJDZHIRSF-KOLCDFICSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599578537 998487954 /nfs/dbraw/zinc/48/79/54/998487954.db2.gz DHQMEXJDZHIRSF-MWLCHTKSSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599578537 998487947 /nfs/dbraw/zinc/48/79/47/998487947.db2.gz DHQMEXJDZHIRSF-MWLCHTKSSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599578539 998487597 /nfs/dbraw/zinc/48/75/97/998487597.db2.gz DHQMEXJDZHIRSF-ONGXEEELSA-N 0 2 385.804 -0.123 20 50 GBGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599578539 998487584 /nfs/dbraw/zinc/48/75/84/998487584.db2.gz DHQMEXJDZHIRSF-ONGXEEELSA-N 0 2 385.804 -0.123 20 50 GBGDLN