smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@H](C)O1 ZINC000159537097 565208909 /nfs/dbraw/zinc/20/89/09/565208909.db2.gz CBXNMEPBUBQGIG-BETUJISGSA-N 1 0 394.313 3.160 10 70 GGIERO CCC[NH+]1CCC(CNC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000159650157 565214083 /nfs/dbraw/zinc/21/40/83/565214083.db2.gz WQBLBHQVUYDJLB-UHFFFAOYSA-N 1 0 383.330 3.238 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000160248556 565237838 /nfs/dbraw/zinc/23/78/38/565237838.db2.gz BHJAMAJRYUSBND-OAHLLOKOSA-N 1 0 379.913 3.040 10 70 GGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530092 565249807 /nfs/dbraw/zinc/24/98/07/565249807.db2.gz XYMLLSTXVWOHKB-NEPJUHHUSA-N 1 0 378.270 3.190 10 70 GGIERO CSc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000160576740 565251533 /nfs/dbraw/zinc/25/15/33/565251533.db2.gz TXTCXFCKCGZWSK-NSHDSACASA-N 1 0 377.337 3.292 10 70 GGIERO CC[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC[N@@H+]1CCOC ZINC000160920363 565264070 /nfs/dbraw/zinc/26/40/70/565264070.db2.gz SISIDCDSRKGKCE-ZDUSSCGKSA-N 1 0 394.313 3.113 10 70 GGIERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000161156595 565275185 /nfs/dbraw/zinc/27/51/85/565275185.db2.gz CJUDNYKMWQSXLA-KDOFPFPSSA-N 1 0 381.314 3.405 10 70 GGIERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000161156466 565275467 /nfs/dbraw/zinc/27/54/67/565275467.db2.gz CJUDNYKMWQSXLA-RDTXWAMCSA-N 1 0 381.314 3.405 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000161289174 565280481 /nfs/dbraw/zinc/28/04/81/565280481.db2.gz TXDFWYHPQLWCIE-GFCCVEGCSA-N 1 0 390.709 3.071 10 70 GGIERO COc1c(Br)c(C)sc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161393495 565283531 /nfs/dbraw/zinc/28/35/31/565283531.db2.gz CLFPIGZHGZMRTP-GXSJLCMTSA-N 1 0 375.332 3.286 10 70 GGIERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(I)c(F)cc1F ZINC000161427463 565284563 /nfs/dbraw/zinc/28/45/63/565284563.db2.gz HKIKGEIDIDVQPP-SECBINFHSA-N 1 0 396.219 3.030 10 70 GGIERO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@H](C)O1 ZINC000159537161 565209182 /nfs/dbraw/zinc/20/91/82/565209182.db2.gz CBXNMEPBUBQGIG-STQMWFEESA-N 1 0 394.313 3.160 10 70 GGIERO CC(C)[NH+](CCNC(=O)c1c(F)cccc1I)C(C)C ZINC000159627282 565212642 /nfs/dbraw/zinc/21/26/42/565212642.db2.gz ZBUWNLOTDSWKHI-UHFFFAOYSA-N 1 0 392.256 3.279 10 70 GGIERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000159858061 565221022 /nfs/dbraw/zinc/22/10/22/565221022.db2.gz WMMSUMQHLJOAEP-GFCCVEGCSA-N 1 0 378.270 3.334 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000160062717 565228689 /nfs/dbraw/zinc/22/86/89/565228689.db2.gz HVIUNQKKJXQFFH-LLVKDONJSA-N 1 0 385.942 3.102 10 70 GGIERO CC[NH+](CC)CCCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000160092816 565229806 /nfs/dbraw/zinc/22/98/06/565229806.db2.gz LCLDEUKKLWTSTR-UHFFFAOYSA-N 1 0 394.313 3.142 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2Cl)n1 ZINC000160142181 565232378 /nfs/dbraw/zinc/23/23/78/565232378.db2.gz GTHOFNZYEQOWFZ-CYBMUJFWSA-N 1 0 379.913 3.040 10 70 GGIERO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160186471 565235513 /nfs/dbraw/zinc/23/55/13/565235513.db2.gz BHMCFYJLGLTLNW-CQSZACIVSA-N 1 0 389.323 3.115 10 70 GGIERO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160262923 565239118 /nfs/dbraw/zinc/23/91/18/565239118.db2.gz FPLIVHKITPXDRW-CQSZACIVSA-N 1 0 388.339 3.336 10 70 GGIERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160546868 565249754 /nfs/dbraw/zinc/24/97/54/565249754.db2.gz SOUKHLGXQJVKLO-LBPRGKRZSA-N 1 0 399.969 3.410 10 70 GGIERO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160598263 565252970 /nfs/dbraw/zinc/25/29/70/565252970.db2.gz BUKPALYKRIUTDB-CQSZACIVSA-N 1 0 395.297 3.080 10 70 GGIERO CC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC[N@@H+]1CCOC ZINC000160920237 565264402 /nfs/dbraw/zinc/26/44/02/565264402.db2.gz SISIDCDSRKGKCE-CYBMUJFWSA-N 1 0 394.313 3.113 10 70 GGIERO CC[C@@](C)(O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000161445153 565284345 /nfs/dbraw/zinc/28/43/45/565284345.db2.gz DDYYLDQEBHXJEN-MRXNPFEDSA-N 1 0 389.277 3.295 10 70 GGIERO CCCOc1c(Br)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159659148 565213889 /nfs/dbraw/zinc/21/38/89/565213889.db2.gz DRKJAFVDFHVMHW-JSGCOSHPSA-N 1 0 399.329 3.332 10 70 GGIERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000159739037 565216670 /nfs/dbraw/zinc/21/66/70/565216670.db2.gz GHCZSKJGPFFWGS-OAHLLOKOSA-N 1 0 382.302 3.010 10 70 GGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000159816891 565219315 /nfs/dbraw/zinc/21/93/15/565219315.db2.gz WXJXCGUNGKLPNC-UHFFFAOYSA-N 1 0 381.929 3.245 10 70 GGIERO O=C(CCCCc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159963848 565224553 /nfs/dbraw/zinc/22/45/53/565224553.db2.gz ZKUXHZSAJDVWAI-SFHVURJKSA-N 1 0 397.357 3.125 10 70 GGIERO O=C(CSc1cc(Cl)ccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160335480 565241543 /nfs/dbraw/zinc/24/15/43/565241543.db2.gz MWLUAZMQPLKSGG-ZDUSSCGKSA-N 1 0 377.337 3.049 10 70 GGIERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc(OC)c1Br ZINC000160391726 565242532 /nfs/dbraw/zinc/24/25/32/565242532.db2.gz KERYVHJJNURCFQ-CQSZACIVSA-N 1 0 399.329 3.317 10 70 GGIERO CC[NH+]1CCC(CCNC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000160706195 565256682 /nfs/dbraw/zinc/25/66/82/565256682.db2.gz BIDUMNJEUJPDRZ-UHFFFAOYSA-N 1 0 383.330 3.238 10 70 GGIERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161299476 565280212 /nfs/dbraw/zinc/28/02/12/565280212.db2.gz GVIWNJFLQVWDIZ-LBPRGKRZSA-N 1 0 390.709 3.023 10 70 GGIERO CCn1nc(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000161505418 565286155 /nfs/dbraw/zinc/28/61/55/565286155.db2.gz LUMFFJJMIGLQFD-UHFFFAOYSA-N 1 0 393.329 3.178 10 70 GGIERO CCC[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000161503354 565286260 /nfs/dbraw/zinc/28/62/60/565286260.db2.gz BCYMHOAZNHCIPC-INIZCTEOSA-N 1 0 386.323 3.008 10 70 GGIERO CCC[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000161503467 565286896 /nfs/dbraw/zinc/28/68/96/565286896.db2.gz BCYMHOAZNHCIPC-MRXNPFEDSA-N 1 0 386.323 3.008 10 70 GGIERO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160134045 570965667 /nfs/dbraw/zinc/96/56/67/570965667.db2.gz IDBWBDQZIVDQKL-MRXNPFEDSA-N 1 0 380.414 3.000 10 70 GGIERO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160134177 570965905 /nfs/dbraw/zinc/96/59/05/570965905.db2.gz IDBWBDQZIVDQKL-INIZCTEOSA-N 1 0 380.414 3.000 10 70 GGIERO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@@H](C)O1 ZINC000159537283 565208866 /nfs/dbraw/zinc/20/88/66/565208866.db2.gz CBXNMEPBUBQGIG-CHWSQXEVSA-N 1 0 394.313 3.160 10 70 GGIERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000159739191 565216996 /nfs/dbraw/zinc/21/69/96/565216996.db2.gz GHCZSKJGPFFWGS-HNNXBMFYSA-N 1 0 382.302 3.010 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2Cl)n1 ZINC000160142060 565233102 /nfs/dbraw/zinc/23/31/02/565233102.db2.gz GTHOFNZYEQOWFZ-ZDUSSCGKSA-N 1 0 379.913 3.040 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000160248422 565237854 /nfs/dbraw/zinc/23/78/54/565237854.db2.gz BHJAMAJRYUSBND-HNNXBMFYSA-N 1 0 379.913 3.040 10 70 GGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530264 565249219 /nfs/dbraw/zinc/24/92/19/565249219.db2.gz XYMLLSTXVWOHKB-VXGBXAGGSA-N 1 0 378.270 3.190 10 70 GGIERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(Br)cc1 ZINC000160653104 565254127 /nfs/dbraw/zinc/25/41/27/565254127.db2.gz JUPLSVZULKJPBA-UHFFFAOYSA-N 1 0 377.286 3.380 10 70 GGIERO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160641909 565254291 /nfs/dbraw/zinc/25/42/91/565254291.db2.gz MQSFSTPSNTUXGK-ZDUSSCGKSA-N 1 0 399.969 3.031 10 70 GGIERO CCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)[NH+](C)C ZINC000161270836 565279474 /nfs/dbraw/zinc/27/94/74/565279474.db2.gz IMCGAMRFCIQUOX-OAHLLOKOSA-N 1 0 389.949 3.039 10 70 GGIERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000159821961 565219855 /nfs/dbraw/zinc/21/98/55/565219855.db2.gz ZZVGZJBSGHABFZ-GFCCVEGCSA-N 1 0 382.295 3.406 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C2SCCCS2)cc1 ZINC000159999852 565226628 /nfs/dbraw/zinc/22/66/28/565226628.db2.gz YLWAYHMRJMZSKB-KRWDZBQOSA-N 1 0 380.579 3.132 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000160076767 565230330 /nfs/dbraw/zinc/23/03/30/565230330.db2.gz DCEYZRGOMXWAMT-HNNXBMFYSA-N 1 0 385.335 3.378 10 70 GGIERO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160105845 565231254 /nfs/dbraw/zinc/23/12/54/565231254.db2.gz PEHFGWPHTUJNGN-OAHLLOKOSA-N 1 0 389.323 3.115 10 70 GGIERO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160186343 565234580 /nfs/dbraw/zinc/23/45/80/565234580.db2.gz BHMCFYJLGLTLNW-AWEZNQCLSA-N 1 0 389.323 3.115 10 70 GGIERO O=C(CCc1nc2cc(Br)ccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160390300 565242651 /nfs/dbraw/zinc/24/26/51/565242651.db2.gz NBYWOYYIBWJQOU-BETUJISGSA-N 1 0 394.338 3.344 10 70 GGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530128 565249796 /nfs/dbraw/zinc/24/97/96/565249796.db2.gz XYMLLSTXVWOHKB-RYUDHWBXSA-N 1 0 378.270 3.190 10 70 GGIERO OCCn1nccc1C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000160561189 565250244 /nfs/dbraw/zinc/25/02/44/565250244.db2.gz OOARADSLVYBMHB-UHFFFAOYSA-N 1 0 382.277 3.157 10 70 GGIERO Cn1nccc1C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000160649449 565254660 /nfs/dbraw/zinc/25/46/60/565254660.db2.gz NKPHFSCWMFFWBP-UHFFFAOYSA-N 1 0 391.313 3.391 10 70 GGIERO Cc1[nH+]c2ccc(Br)cc2c(N2CCS(=O)(=O)[C@H](C)C2)c1C ZINC000160731004 565258043 /nfs/dbraw/zinc/25/80/43/565258043.db2.gz PSBLCGABODNRJC-SNVBAGLBSA-N 1 0 383.311 3.237 10 70 GGIERO COc1ccc(Br)c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000160752838 565258343 /nfs/dbraw/zinc/25/83/43/565258343.db2.gz HGHLODOBOXNEBP-GOOCMWNKSA-N 1 0 381.314 3.132 10 70 GGIERO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000161027799 565268494 /nfs/dbraw/zinc/26/84/94/565268494.db2.gz UKCOPWZAQOAKIG-LLVKDONJSA-N 1 0 380.275 3.059 10 70 GGIERO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000161027676 565268890 /nfs/dbraw/zinc/26/88/90/565268890.db2.gz UKCOPWZAQOAKIG-NSHDSACASA-N 1 0 380.275 3.059 10 70 GGIERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(I)c(F)cc1F ZINC000161427392 565283722 /nfs/dbraw/zinc/28/37/22/565283722.db2.gz HKIKGEIDIDVQPP-VIFPVBQESA-N 1 0 396.219 3.030 10 70 GGIERO CC[C@](C)(O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000161444993 565283825 /nfs/dbraw/zinc/28/38/25/565283825.db2.gz DDYYLDQEBHXJEN-INIZCTEOSA-N 1 0 389.277 3.295 10 70 GGIERO O=C(COc1ccc(C2SCCCS2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159529294 565209384 /nfs/dbraw/zinc/20/93/84/565209384.db2.gz OPDUNXDHXCZZIE-IYBDPMFKSA-N 1 0 378.563 3.287 10 70 GGIERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000159858192 565220966 /nfs/dbraw/zinc/22/09/66/565220966.db2.gz WMMSUMQHLJOAEP-LBPRGKRZSA-N 1 0 378.270 3.334 10 70 GGIERO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160262811 565238676 /nfs/dbraw/zinc/23/86/76/565238676.db2.gz FPLIVHKITPXDRW-AWEZNQCLSA-N 1 0 388.339 3.336 10 70 GGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530440 565248930 /nfs/dbraw/zinc/24/89/30/565248930.db2.gz XYMLLSTXVWOHKB-NWDGAFQWSA-N 1 0 378.270 3.190 10 70 GGIERO CCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)[NH+](C)C ZINC000161270729 565278989 /nfs/dbraw/zinc/27/89/89/565278989.db2.gz IMCGAMRFCIQUOX-HNNXBMFYSA-N 1 0 389.949 3.039 10 70 GGIERO COc1c(Br)c(C)sc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161393613 565284215 /nfs/dbraw/zinc/28/42/15/565284215.db2.gz CLFPIGZHGZMRTP-ONGXEEELSA-N 1 0 375.332 3.286 10 70 GGIERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159528192 565208986 /nfs/dbraw/zinc/20/89/86/565208986.db2.gz ZBYXTUSANXAXOJ-JSGCOSHPSA-N 1 0 391.313 3.029 10 70 GGIERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159528056 565209533 /nfs/dbraw/zinc/20/95/33/565209533.db2.gz ZBYXTUSANXAXOJ-GXTWGEPZSA-N 1 0 391.313 3.029 10 70 GGIERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000159822090 565220547 /nfs/dbraw/zinc/22/05/47/565220547.db2.gz ZZVGZJBSGHABFZ-LBPRGKRZSA-N 1 0 382.295 3.406 10 70 GGIERO CC(C)[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCc1nccs1 ZINC000159858698 565221493 /nfs/dbraw/zinc/22/14/93/565221493.db2.gz RKORSDKCTZVIQJ-UHFFFAOYSA-N 1 0 382.551 3.269 10 70 GGIERO COc1ccc(Cl)cc1CNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159903611 565223636 /nfs/dbraw/zinc/22/36/36/565223636.db2.gz BEAZSSWBDCFGDU-UHFFFAOYSA-N 1 0 381.929 3.374 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000160062576 565228874 /nfs/dbraw/zinc/22/88/74/565228874.db2.gz HVIUNQKKJXQFFH-NSHDSACASA-N 1 0 385.942 3.102 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000160076891 565229959 /nfs/dbraw/zinc/22/99/59/565229959.db2.gz DCEYZRGOMXWAMT-OAHLLOKOSA-N 1 0 385.335 3.378 10 70 GGIERO CCN1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160095051 565230506 /nfs/dbraw/zinc/23/05/06/565230506.db2.gz AYRVTWVJZVJWCZ-SNVBAGLBSA-N 1 0 399.713 3.004 10 70 GGIERO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160105718 565231709 /nfs/dbraw/zinc/23/17/09/565231709.db2.gz PEHFGWPHTUJNGN-HNNXBMFYSA-N 1 0 389.323 3.115 10 70 GGIERO CS(=O)(=O)c1csc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000160184394 565234180 /nfs/dbraw/zinc/23/41/80/565234180.db2.gz PEUPVKOVPVVPIU-UHFFFAOYSA-N 1 0 378.519 3.390 10 70 GGIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000160355196 565241027 /nfs/dbraw/zinc/24/10/27/565241027.db2.gz CPRYEMKVTFJSBG-OAHLLOKOSA-N 1 0 379.913 3.040 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000160355061 565241776 /nfs/dbraw/zinc/24/17/76/565241776.db2.gz CPRYEMKVTFJSBG-HNNXBMFYSA-N 1 0 379.913 3.040 10 70 GGIERO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160598133 565253212 /nfs/dbraw/zinc/25/32/12/565253212.db2.gz BUKPALYKRIUTDB-AWEZNQCLSA-N 1 0 395.297 3.080 10 70 GGIERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000160784222 565259201 /nfs/dbraw/zinc/25/92/01/565259201.db2.gz STOSDDYJVBEPLJ-OAHLLOKOSA-N 1 0 379.302 3.479 10 70 GGIERO O[C@H](C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000161224549 565277709 /nfs/dbraw/zinc/27/77/09/565277709.db2.gz FQKFNFYZEPXFMX-CQSZACIVSA-N 1 0 375.416 3.366 10 70 GGIERO O[C@@H](C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000161224423 565277961 /nfs/dbraw/zinc/27/79/61/565277961.db2.gz FQKFNFYZEPXFMX-AWEZNQCLSA-N 1 0 375.416 3.366 10 70 GGIERO CCCOc1c(Br)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159659025 565213961 /nfs/dbraw/zinc/21/39/61/565213961.db2.gz DRKJAFVDFHVMHW-GXTWGEPZSA-N 1 0 399.329 3.332 10 70 GGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCOc1cccc(Cl)c1 ZINC000159800252 565219502 /nfs/dbraw/zinc/21/95/02/565219502.db2.gz VJHDAMCIUSLQET-UHFFFAOYSA-N 1 0 381.929 3.245 10 70 GGIERO CCN1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160094908 565230358 /nfs/dbraw/zinc/23/03/58/565230358.db2.gz AYRVTWVJZVJWCZ-JTQLQIEISA-N 1 0 399.713 3.004 10 70 GGIERO CN(CCC[NH+](C)C)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160196700 565234972 /nfs/dbraw/zinc/23/49/72/565234972.db2.gz VOPWSJHNXWIBDT-UHFFFAOYSA-N 1 0 394.317 3.109 10 70 GGIERO O=C(CCCc1cc(Cl)sc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160556667 565250830 /nfs/dbraw/zinc/25/08/30/565250830.db2.gz VQPJNGBNFOLHKK-ZDUSSCGKSA-N 1 0 379.353 3.341 10 70 GGIERO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160637215 565254642 /nfs/dbraw/zinc/25/46/42/565254642.db2.gz XUPYBKYLZOYUFF-HBUWYVDXSA-N 1 0 381.314 3.403 10 70 GGIERO COc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1Br ZINC000160658222 565255753 /nfs/dbraw/zinc/25/57/53/565255753.db2.gz NMBAQTSZHXAGGM-UHFFFAOYSA-N 1 0 394.313 3.026 10 70 GGIERO Cc1[nH+]c2ccc(Br)cc2c(N2CCS(=O)(=O)[C@@H](C)C2)c1C ZINC000160731138 565258385 /nfs/dbraw/zinc/25/83/85/565258385.db2.gz PSBLCGABODNRJC-JTQLQIEISA-N 1 0 383.311 3.237 10 70 GGIERO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000160784088 565259781 /nfs/dbraw/zinc/25/97/81/565259781.db2.gz STOSDDYJVBEPLJ-HNNXBMFYSA-N 1 0 379.302 3.479 10 70 GGIERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)ccc1Br ZINC000160926314 565264009 /nfs/dbraw/zinc/26/40/09/565264009.db2.gz RTWBTFMTWQVXBR-ZACCUICWSA-N 1 0 388.103 3.224 10 70 GGIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161110193 565273796 /nfs/dbraw/zinc/27/37/96/565273796.db2.gz ZCKTYUDQYCWFBO-LLVKDONJSA-N 1 0 388.306 3.318 10 70 GGIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161110061 565274183 /nfs/dbraw/zinc/27/41/83/565274183.db2.gz ZCKTYUDQYCWFBO-NSHDSACASA-N 1 0 388.306 3.318 10 70 GGIERO Cc1ccc(I)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000161229190 565277565 /nfs/dbraw/zinc/27/75/65/565277565.db2.gz UGGHLYXQIGVIMI-ZDUSSCGKSA-N 1 0 388.293 3.306 10 70 GGIERO Cc1ccc(I)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000161229331 565277973 /nfs/dbraw/zinc/27/79/73/565277973.db2.gz UGGHLYXQIGVIMI-CYBMUJFWSA-N 1 0 388.293 3.306 10 70 GGIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000161289052 565280201 /nfs/dbraw/zinc/28/02/01/565280201.db2.gz TXDFWYHPQLWCIE-LBPRGKRZSA-N 1 0 390.709 3.071 10 70 GGIERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161299562 565280326 /nfs/dbraw/zinc/28/03/26/565280326.db2.gz GVIWNJFLQVWDIZ-GFCCVEGCSA-N 1 0 390.709 3.023 10 70 GGIERO