smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C=C\COc1ccc(-c2nn[nH]n2)cc1 ZINC000822807147 946195099 /nfs/dbraw/zinc/19/50/99/946195099.db2.gz ZTHDVFYZRBZSFD-UPHRSURJSA-N 0 0 227.227 1.325 20 50 BDGDRN C[C@H](C[N@H+](C)C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001592583598 978500174 /nfs/dbraw/zinc/50/01/74/978500174.db2.gz VPFGCNUXYVRSLX-BGZDPUMWSA-N 0 0 219.712 1.512 20 50 BDGDRN C=C(C)C[C@H]([NH2+]C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001588552918 983627030 /nfs/dbraw/zinc/62/70/30/983627030.db2.gz FVRGXVZKPBBSRW-IMSYWVGJSA-N 0 0 231.723 1.869 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188407 998731133 /nfs/dbraw/zinc/73/11/33/998731133.db2.gz QZOLZLOBMZYDJQ-GENCIFFESA-N 0 0 247.722 1.034 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594190528 998740101 /nfs/dbraw/zinc/74/01/01/998740101.db2.gz IQBRULVOEBYCNT-IWSVPVBZSA-N 0 0 229.707 1.122 20 50 BDGDRN N#CC(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000822801626 946190524 /nfs/dbraw/zinc/19/05/24/946190524.db2.gz LHKMNMKAGDUHQP-UHFFFAOYSA-N 0 0 228.240 1.359 20 50 BDGDRN N#C/C=C\CSc1cc(-c2nn[nH]n2)ccn1 ZINC000822807150 946195253 /nfs/dbraw/zinc/19/52/53/946195253.db2.gz ZWUVQHHBCZBDDD-UPHRSURJSA-N 0 0 244.283 1.434 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CCC[C@@H]2C(=O)[O-])[C@H]1Cl ZINC001589261433 957034232 /nfs/dbraw/zinc/03/42/32/957034232.db2.gz BMLMHSZTVAOJPB-MAUMQABQSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC001589261434 957034660 /nfs/dbraw/zinc/03/46/60/957034660.db2.gz BMLMHSZTVAOJPB-RBXMUDONSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC001589261827 957039541 /nfs/dbraw/zinc/03/95/41/957039541.db2.gz HQHYZLMWZZELBA-YIZRAAEISA-N 0 0 233.739 1.950 20 50 BDGDRN C[C@H]1[C@H](C[NH2+]CCC(C)(C)C(=O)[O-])[C@H]1Cl ZINC001589261823 957039607 /nfs/dbraw/zinc/03/96/07/957039607.db2.gz HQHYZLMWZZELBA-CIUDSAMLSA-N 0 0 233.739 1.950 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H]1C[C@H](C(=O)[O-])C1 ZINC001589262373 957045775 /nfs/dbraw/zinc/04/57/75/957045775.db2.gz NPRCERHHGWUPQI-XRBOHMRVSA-N 0 0 217.696 1.313 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+](C)CCCC(=O)[O-] ZINC001589262692 957051344 /nfs/dbraw/zinc/05/13/44/957051344.db2.gz RLOYPBNXKXAFPN-QXFUBDJGSA-N 0 0 219.712 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC001594188328 998730386 /nfs/dbraw/zinc/73/03/86/998730386.db2.gz QGVHJHZJZMGUIM-AXTSPUMRSA-N 0 0 231.723 1.799 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]C(C)(C)C(=O)[O-] ZINC001594189905 998736470 /nfs/dbraw/zinc/73/64/70/998736470.db2.gz CNBOISHSNFCPSO-LYFYHCNISA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@H]1[C@H](C[N@H+](CC(=O)[O-])C2CCC2)[C@H]1Cl ZINC001603353751 972782506 /nfs/dbraw/zinc/78/25/06/972782506.db2.gz CDTUGSFFBNIRGG-ARENWVFISA-N 0 0 231.723 1.799 20 50 BDGDRN CC[N@@H+](CC(=O)[O-])C[C@@H]1[C@@H](C)[C@H]1Cl ZINC001596224902 983615992 /nfs/dbraw/zinc/61/59/92/983615992.db2.gz JLOMGQUHSSUKFO-ZXFLCMHBSA-N 0 0 205.685 1.266 20 50 BDGDRN C=C[C@H]([NH2+]C[C@@]1(C)C[C@H]1Br)C(=O)[O-] ZINC001588695394 983901153 /nfs/dbraw/zinc/90/11/53/983901153.db2.gz JMVKBHXGWREFJS-LKEWCRSYSA-N 0 0 248.120 1.389 20 50 BDGDRN CC(C)C[N@@H+](CC(=O)[O-])C[C@@H]1[C@H](C)[C@@H]1Cl ZINC001591304738 992255031 /nfs/dbraw/zinc/25/50/31/992255031.db2.gz GIUKABRAAUHCQJ-NGZCFLSTSA-N 0 0 233.739 1.902 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CCC[C@H]2C(=O)[O-])[C@H]1Cl ZINC001594187061 998723478 /nfs/dbraw/zinc/72/34/78/998723478.db2.gz BMLMHSZTVAOJPB-JBDRJPRFSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188406 998730747 /nfs/dbraw/zinc/73/07/47/998730747.db2.gz QZOLZLOBMZYDJQ-CIQUZCHMSA-N 0 0 247.722 1.034 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H](CC1CC1)C(=O)[O-] ZINC001594191134 998745808 /nfs/dbraw/zinc/74/58/08/998745808.db2.gz RVETUVSZQULONA-ZQNVIIHSSA-N 0 0 231.723 1.703 20 50 BDGDRN CCC[N@@H+](CC(=O)[O-])C[C@H]1[C@H](Cl)[C@H]1C ZINC001589669863 949930286 /nfs/dbraw/zinc/93/02/86/949930286.db2.gz SQZZEPUWYPMFMG-QXFUBDJGSA-N 0 0 219.712 1.656 20 50 BDGDRN CCC[N@@H+](CC(=O)[O-])C[C@@H]1[C@@H](C)[C@H]1Cl ZINC001589669862 949932656 /nfs/dbraw/zinc/93/26/56/949932656.db2.gz SQZZEPUWYPMFMG-NQMVMOMDSA-N 0 0 219.712 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+][C@H]1C[C@H](C(=O)[O-])C1 ZINC001589262371 957045402 /nfs/dbraw/zinc/04/54/02/957045402.db2.gz NPRCERHHGWUPQI-OAHBRNHXSA-N 0 0 217.696 1.313 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)[C@H]1Cl ZINC001589262933 957056115 /nfs/dbraw/zinc/05/61/15/957056115.db2.gz VSPBQDVUTIBTJW-KBIXCLLPSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+](CC(=O)[O-])CC2CC2)[C@H]1Cl ZINC001573691246 959783095 /nfs/dbraw/zinc/78/30/95/959783095.db2.gz TWSSZHBAIWAZQX-ARENWVFISA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CC[C@H](C(=O)[O-])C2)[C@H]1Cl ZINC001603354525 972790850 /nfs/dbraw/zinc/79/08/50/972790850.db2.gz JDANIGUWCHTXLA-JBDRJPRFSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001603355120 972796335 /nfs/dbraw/zinc/79/63/35/972796335.db2.gz MJNGMNNNAFLJLH-JLIMGVALSA-N 0 0 231.723 1.656 20 50 BDGDRN CC(C)C[N@@H+](CC(=O)[O-])C[C@@H]1[C@@H](C)[C@H]1Cl ZINC001591304735 992255952 /nfs/dbraw/zinc/25/59/52/992255952.db2.gz GIUKABRAAUHCQJ-FXPVBKGRSA-N 0 0 233.739 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC001594187063 998723768 /nfs/dbraw/zinc/72/37/68/998723768.db2.gz BMLMHSZTVAOJPB-UYXSQOIJSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)[C@H]1Cl ZINC001594188409 998731058 /nfs/dbraw/zinc/73/10/58/998731058.db2.gz QZOLZLOBMZYDJQ-MBGOZMDMSA-N 0 0 247.722 1.034 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001594190885 998743355 /nfs/dbraw/zinc/74/33/55/998743355.db2.gz OFAAORXXAVIOLG-JMOVZRAMSA-N 0 0 243.690 1.941 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]CC(C)(C)C(=O)[O-] ZINC001594191028 998744540 /nfs/dbraw/zinc/74/45/40/998744540.db2.gz QLFMWNZKQCQHNX-XLPZGREQSA-N 0 0 219.712 1.560 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589395866 954369407 /nfs/dbraw/zinc/36/94/07/954369407.db2.gz MWQMYRQRQUBCOY-RCZSTQMZSA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+](C)CCC(=O)[O-] ZINC001589262580 957049514 /nfs/dbraw/zinc/04/95/14/957049514.db2.gz PNCZYNCNHAMSTH-LKEWCRSYSA-N 0 0 205.685 1.266 20 50 BDGDRN CC[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1[C@H](C)[C@@H]1Cl ZINC001573768231 960636934 /nfs/dbraw/zinc/63/69/34/960636934.db2.gz JNIBQSDJTBECHP-KDXUFGMBSA-N 0 0 219.712 1.655 20 50 BDGDRN C=C[C@H]([NH2+]C[C@]1(C)C[C@@H]1Br)C(=O)[O-] ZINC001588695397 983901167 /nfs/dbraw/zinc/90/11/67/983901167.db2.gz JMVKBHXGWREFJS-ZKWXMUAHSA-N 0 0 248.120 1.389 20 50 BDGDRN C[C@H](C(=O)[O-])[N@H+](C)C[C@H]1[C@H](Cl)[C@H]1C ZINC001594187384 998725862 /nfs/dbraw/zinc/72/58/62/998725862.db2.gz GIEDRTBLQASXDH-LXGUWJNJSA-N 0 0 205.685 1.265 20 50 BDGDRN CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1[C@H](Cl)[C@H]1C ZINC001594187729 998727276 /nfs/dbraw/zinc/72/72/76/998727276.db2.gz KJWOHJUTZPWXBH-OYNCUSHFSA-N 0 0 219.712 1.655 20 50 BDGDRN C[C@H]1[C@H](C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)[C@H]1Cl ZINC001594190530 998740348 /nfs/dbraw/zinc/74/03/48/998740348.db2.gz IQBRULVOEBYCNT-SWXZISNSSA-N 0 0 229.707 1.122 20 50 BDGDRN N#CC(C#N)=CNc1sccc1-c1nn[nH]n1 ZINC000737670371 945108174 /nfs/dbraw/zinc/10/81/74/945108174.db2.gz AMVAWYYDBQRFBN-UHFFFAOYSA-N 0 0 243.255 1.271 20 50 BDGDRN N#C/C=C\COc1cccc(-c2nn[nH]n2)c1 ZINC000822805998 946191535 /nfs/dbraw/zinc/19/15/35/946191535.db2.gz HWKROWOQMLWCPC-UPHRSURJSA-N 0 0 227.227 1.325 20 50 BDGDRN COCC[N@H+](CCC(=O)[O-])C[C@@H]1[C@@H](C)[C@@H]1Cl ZINC001594011265 956997953 /nfs/dbraw/zinc/99/79/53/956997953.db2.gz ZIHYVWXBBWHZMQ-KKZNHRDASA-N 0 0 249.738 1.283 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC001589261826 957039789 /nfs/dbraw/zinc/03/97/89/957039789.db2.gz HQHYZLMWZZELBA-XHNCKOQMSA-N 0 0 233.739 1.950 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH+]1CCC(C(=O)[O-])CC1 ZINC001589261969 957041815 /nfs/dbraw/zinc/04/18/15/957041815.db2.gz JAFYZRLHDOXNMC-UJNFCWOMSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]CCCCC(=O)[O-] ZINC001589262643 957048753 /nfs/dbraw/zinc/04/87/53/957048753.db2.gz QSJZMMGWEQJCBX-OYNCUSHFSA-N 0 0 219.712 1.704 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])CC1CC1 ZINC001573691247 959782007 /nfs/dbraw/zinc/78/20/07/959782007.db2.gz TWSSZHBAIWAZQX-JVUFJMBOSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H](CBr)C[NH2+]C(C)(C)C(=O)[O-] ZINC001588988193 962774317 /nfs/dbraw/zinc/77/43/17/962774317.db2.gz VVDWCGYLARYOQD-LURJTMIESA-N 0 0 238.125 1.470 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]C(C)(C)C(=O)[O-] ZINC001594189906 998736684 /nfs/dbraw/zinc/73/66/84/998736684.db2.gz CNBOISHSNFCPSO-RRKCRQDMSA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589261593 957035167 /nfs/dbraw/zinc/03/51/67/957035167.db2.gz DDKBMBGAELLLLW-ZOZBQHSOSA-N 0 0 231.723 1.797 20 50 BDGDRN C[C@@H](C(=O)[O-])[N@H+](C[C@@H]1[C@H](C)[C@@H]1Cl)C1CC1 ZINC001589262604 957048688 /nfs/dbraw/zinc/04/86/88/957048688.db2.gz PSHWUTYVTABYIQ-MFDQJXRNSA-N 0 0 231.723 1.797 20 50 BDGDRN CC(C)C[C@H]([NH2+]C[C@H]1[C@H](Cl)[C@H]1C)C(=O)[O-] ZINC001588905808 962266457 /nfs/dbraw/zinc/26/64/57/962266457.db2.gz LADSYHUFSIXXPN-QCLAVDOMSA-N 0 0 233.739 1.949 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001603430232 973173553 /nfs/dbraw/zinc/17/35/53/973173553.db2.gz NVMGPIWAZPCMQW-ZKKRXERASA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001603430227 973173947 /nfs/dbraw/zinc/17/39/47/973173947.db2.gz NVMGPIWAZPCMQW-KJPMQGKISA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@H](C[N@H+](C)C[C@H]1[C@H](Cl)[C@H]1C)C(=O)[O-] ZINC001592583599 978500350 /nfs/dbraw/zinc/50/03/50/978500350.db2.gz VPFGCNUXYVRSLX-BZNPZCIMSA-N 0 0 219.712 1.512 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001594187156 998723759 /nfs/dbraw/zinc/72/37/59/998723759.db2.gz BVWLYIXZMHFFCX-RACFRTOFSA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188411 998731180 /nfs/dbraw/zinc/73/11/80/998731180.db2.gz QZOLZLOBMZYDJQ-SQQIUAQRSA-N 0 0 247.722 1.034 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001594190888 998743314 /nfs/dbraw/zinc/74/33/14/998743314.db2.gz OFAAORXXAVIOLG-WQGWLQIFSA-N 0 0 243.690 1.941 20 50 BDGDRN C[C@H]1[C@H](C[NH2+]Cc2cc(C(=O)[O-])co2)[C@H]1Cl ZINC001594190886 998743396 /nfs/dbraw/zinc/74/33/96/998743396.db2.gz OFAAORXXAVIOLG-JUWDTYFHSA-N 0 0 243.690 1.941 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589261590 957036740 /nfs/dbraw/zinc/03/67/40/957036740.db2.gz DDKBMBGAELLLLW-JDDHQFAOSA-N 0 0 231.723 1.797 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH+]1CCC(C(=O)[O-])CC1 ZINC001589261968 957041629 /nfs/dbraw/zinc/04/16/29/957041629.db2.gz JAFYZRLHDOXNMC-SFGNSQDASA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H](C(=O)[O-])[N@H+](C[C@H]1[C@H](C)[C@@H]1Cl)C1CC1 ZINC001589262606 957048737 /nfs/dbraw/zinc/04/87/37/957048737.db2.gz PSHWUTYVTABYIQ-YIKMNZTOSA-N 0 0 231.723 1.797 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+](C)CCCC(=O)[O-] ZINC001589262691 957051144 /nfs/dbraw/zinc/05/11/44/957051144.db2.gz RLOYPBNXKXAFPN-OYNCUSHFSA-N 0 0 219.712 1.656 20 50 BDGDRN CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1[C@H](C)[C@@H]1Cl ZINC001594187731 998727744 /nfs/dbraw/zinc/72/77/44/998727744.db2.gz KJWOHJUTZPWXBH-XKSSXDPKSA-N 0 0 219.712 1.655 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH+]1CC(C)(C(=O)[O-])C1 ZINC001594188939 998734167 /nfs/dbraw/zinc/73/41/67/998734167.db2.gz YIQMMUWODSXVBH-RNJXMRFFSA-N 0 0 217.696 1.266 20 50 BDGDRN N#CC1=CC[N@H+](C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833963030 605720077 /nfs/dbraw/zinc/72/00/77/605720077.db2.gz GCZXIHGTCAXXKM-NSHDSACASA-N 0 0 235.287 1.142 20 50 BDGDRN N#CC(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826379409 608875232 /nfs/dbraw/zinc/87/52/32/608875232.db2.gz QVGHEAJTPPGMQJ-UHFFFAOYSA-N 0 0 240.201 1.436 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+](CC(=O)[O-])C1CCC1 ZINC001603353762 972782606 /nfs/dbraw/zinc/78/26/06/972782606.db2.gz CDTUGSFFBNIRGG-JVUFJMBOSA-N 0 0 231.723 1.799 20 50 BDGDRN C[C@H](C(=O)[O-])[N@H+](C)C[C@H]1[C@H](C)[C@@H]1Cl ZINC001594187386 998725964 /nfs/dbraw/zinc/72/59/64/998725964.db2.gz GIEDRTBLQASXDH-YWIQKCBGSA-N 0 0 205.685 1.265 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594187831 998728083 /nfs/dbraw/zinc/72/80/83/998728083.db2.gz MWQMYRQRQUBCOY-DAWVFNFOSA-N 0 0 245.750 1.902 20 50 BDGDRN 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BDGDRN C[C@H]1[C@H](C[N@@H+]2C[C@H](C)O[C@H](C(=O)[O-])C2)[C@H]1Cl ZINC001594188412 998730954 /nfs/dbraw/zinc/73/09/54/998730954.db2.gz QZOLZLOBMZYDJQ-WYCDGMCDSA-N 0 0 247.722 1.034 20 50 BDGDRN C[C@H]1[C@H](C[NH2+]C(C)(C)C(=O)[O-])[C@H]1Cl ZINC001594189904 998736651 /nfs/dbraw/zinc/73/66/51/998736651.db2.gz CNBOISHSNFCPSO-ACZMJKKPSA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@H]1[C@H](C[NH2+][C@H](CC2CC2)C(=O)[O-])[C@H]1Cl ZINC001594191132 998745266 /nfs/dbraw/zinc/74/52/66/998745266.db2.gz RVETUVSZQULONA-MCNGFCJOSA-N 0 0 231.723 1.703 20 50 BDGDRN N#CC(C#N)=CNc1ccccc1-c1nn[nH]n1 ZINC000822801206 946190572 /nfs/dbraw/zinc/19/05/72/946190572.db2.gz GLGRRXGGACSKRH-UHFFFAOYSA-N 0 0 237.226 1.210 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+][C@H]1CCC[C@H]1C(=O)[O-] ZINC001589261658 957038752 /nfs/dbraw/zinc/03/87/52/957038752.db2.gz GJSLVGICJAKMEO-CVPUBMOQSA-N 0 0 231.723 1.703 20 50 BDGDRN C[C@H]1[C@H](C[N@H+](C)CCC(=O)[O-])[C@H]1Cl ZINC001589262582 957049058 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C[C@H](C[NH2+]C[C@@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001603192569 972294574 /nfs/dbraw/zinc/29/45/74/972294574.db2.gz MVWUCHIEPUZXDV-CWKFCGSDSA-N 0 0 205.685 1.170 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)[C@H]1Cl ZINC001603355121 972796546 /nfs/dbraw/zinc/79/65/46/972796546.db2.gz MJNGMNNNAFLJLH-JXUBOQSCSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]CCCC(=O)[O-] ZINC001603356090 972811345 /nfs/dbraw/zinc/81/13/45/972811345.db2.gz VWRYFDYUWBSMOI-LKEWCRSYSA-N 0 0 205.685 1.314 20 50 BDGDRN C=C(C)C[C@H]([NH2+]C[C@H]1[C@H](Cl)[C@H]1C)C(=O)[O-] ZINC001588552921 983627062 /nfs/dbraw/zinc/62/70/62/983627062.db2.gz FVRGXVZKPBBSRW-QCLAVDOMSA-N 0 0 231.723 1.869 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CCCC[C@@H]2C(=O)[O-])[C@H]1Cl ZINC001594188331 998730514 /nfs/dbraw/zinc/73/05/14/998730514.db2.gz QGVHJHZJZMGUIM-QEYWKRMJSA-N 0 0 231.723 1.799 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188408 998730793 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CC[C@H]([NH2+]C[C@@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001603959564 974436252 /nfs/dbraw/zinc/43/62/52/974436252.db2.gz QSGZYXOLBLWADP-YWIQKCBGSA-N 0 0 205.685 1.313 20 50 BDGDRN CC(C)C[N@@H+](CC(=O)[O-])C[C@@H]1[C@@H](C)[C@@H]1Cl ZINC001591304737 992255326 /nfs/dbraw/zinc/25/53/26/992255326.db2.gz GIUKABRAAUHCQJ-KKZNHRDASA-N 0 0 233.739 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH+]1CC(C)(C(=O)[O-])C1 ZINC001594188937 998734291 /nfs/dbraw/zinc/73/42/91/998734291.db2.gz YIQMMUWODSXVBH-BIIVOSGPSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594190527 998740088 /nfs/dbraw/zinc/74/00/88/998740088.db2.gz IQBRULVOEBYCNT-HDBWYCHPSA-N 0 0 229.707 1.122 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]C1(CC(=O)[O-])CCC1 ZINC001594191031 998744631 /nfs/dbraw/zinc/74/46/31/998744631.db2.gz QLJPQBIFQSUJJK-QXFUBDJGSA-N 0 0 231.723 1.847 20 50 BDGDRN CC[N@@H+](CC(=O)[O-])C[C@@H]1[C@@H](C)[C@@H]1Cl ZINC001596224899 983615831 /nfs/dbraw/zinc/61/58/31/983615831.db2.gz JLOMGQUHSSUKFO-BHNWBGBOSA-N 0 0 205.685 1.266 20 50 BDGDRN C[C@H]([NH2+]C[C@@]1(C)C[C@@H]1Br)C(=O)[O-] ZINC000904254366 956944936 /nfs/dbraw/zinc/94/49/36/956944936.db2.gz XGEGOZWWTMUKBB-VMHSAVOQSA-N 0 0 236.109 1.223 20 50 BDGDRN C[C@H](C(=O)[O-])[N@H+](C[C@H]1[C@H](C)[C@@H]1Cl)C1CC1 ZINC001589262603 957049246 /nfs/dbraw/zinc/04/92/46/957049246.db2.gz PSHWUTYVTABYIQ-MBLNEYKQSA-N 0 0 231.723 1.797 20 50 BDGDRN CC(C)C[C@H]([NH2+]C[C@@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001588905807 962267532 /nfs/dbraw/zinc/26/75/32/962267532.db2.gz LADSYHUFSIXXPN-JXUBOQSCSA-N 0 0 233.739 1.949 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603368588 972884858 /nfs/dbraw/zinc/88/48/58/972884858.db2.gz RRWXQILKAKKOBN-ZKKRXERASA-N 0 0 245.750 1.902 20 50 BDGDRN CC(C)[N@@H+](CC(=O)[O-])C[C@H]1[C@H](Cl)[C@H]1C ZINC001594187730 998727801 /nfs/dbraw/zinc/72/78/01/998727801.db2.gz KJWOHJUTZPWXBH-QXFUBDJGSA-N 0 0 219.712 1.655 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188405 998730834 /nfs/dbraw/zinc/73/08/34/998730834.db2.gz QZOLZLOBMZYDJQ-BQHMLIOBSA-N 0 0 247.722 1.034 20 50 BDGDRN N#CC1=CC[N@H+](CCCCC(=O)[O-])CC1 ZINC000821320418 955498531 /nfs/dbraw/zinc/49/85/31/955498531.db2.gz PKVMCZZMAXBOHG-UHFFFAOYSA-N 0 0 208.261 1.397 20 50 BDGDRN C[C@H](CBr)C[N@H+](C)CCC(=O)[O-] ZINC001588987688 962763944 /nfs/dbraw/zinc/76/39/44/962763944.db2.gz BBNOVUCDASHMPU-SSDOTTSWSA-N 0 0 238.125 1.424 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CC[C@@H](C(=O)[O-])C2)[C@H]1Cl ZINC001603354528 972790436 /nfs/dbraw/zinc/79/04/36/972790436.db2.gz JDANIGUWCHTXLA-KZVJFYERSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603368587 972883692 /nfs/dbraw/zinc/88/36/92/972883692.db2.gz RRWXQILKAKKOBN-NZFPMDFQSA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC001594187064 998723574 /nfs/dbraw/zinc/72/35/74/998723574.db2.gz BMLMHSZTVAOJPB-XSPKLOCKSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1[C@H](C)[C@@H]1Cl ZINC001594187385 998725894 /nfs/dbraw/zinc/72/58/94/998725894.db2.gz GIEDRTBLQASXDH-OSMVPFSASA-N 0 0 205.685 1.265 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)[C@H]1Cl ZINC001594187833 998728350 /nfs/dbraw/zinc/72/83/50/998728350.db2.gz MWQMYRQRQUBCOY-HHKYUTTNSA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH+]1CC(C)(C(=O)[O-])C1 ZINC001594188940 998734353 /nfs/dbraw/zinc/73/43/53/998734353.db2.gz YIQMMUWODSXVBH-XLPZGREQSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@H]1[C@H](C[NH2+]C2(CC(=O)[O-])CCC2)[C@H]1Cl ZINC001594191029 998744683 /nfs/dbraw/zinc/74/46/83/998744683.db2.gz QLJPQBIFQSUJJK-NRPADANISA-N 0 0 231.723 1.847 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](CC(=O)[O-])CC1CC1 ZINC001573691249 959782109 /nfs/dbraw/zinc/78/21/09/959782109.db2.gz TWSSZHBAIWAZQX-OVYXKVPISA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001603355123 972796783 /nfs/dbraw/zinc/79/67/83/972796783.db2.gz MJNGMNNNAFLJLH-QCLAVDOMSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603355125 972796977 /nfs/dbraw/zinc/79/69/77/972796977.db2.gz MJNGMNNNAFLJLH-QEYWKRMJSA-N 0 0 231.723 1.656 20 50 BDGDRN CC[C@H]([NH2+]C[C@H]1[C@H](Cl)[C@H]1C)C(=O)[O-] ZINC001603959461 974436214 /nfs/dbraw/zinc/43/62/14/974436214.db2.gz QSGZYXOLBLWADP-FKSUSPILSA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC001594187062 998723513 /nfs/dbraw/zinc/72/35/13/998723513.db2.gz BMLMHSZTVAOJPB-KZVJFYERSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC001594188332 998730461 /nfs/dbraw/zinc/73/04/61/998730461.db2.gz QGVHJHZJZMGUIM-SGIHWFKDSA-N 0 0 231.723 1.799 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC001594190887 998743391 /nfs/dbraw/zinc/74/33/91/998743391.db2.gz OFAAORXXAVIOLG-QUNWWBBNSA-N 0 0 243.690 1.941 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]CC(C)(C)C(=O)[O-] ZINC001594191027 998744609 /nfs/dbraw/zinc/74/46/09/998744609.db2.gz QLFMWNZKQCQHNX-RNJXMRFFSA-N 0 0 219.712 1.560 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@@H](CC1CC1)C(=O)[O-] ZINC001594191133 998745103 /nfs/dbraw/zinc/74/51/03/998745103.db2.gz RVETUVSZQULONA-NORCUCSASA-N 0 0 231.723 1.703 20 50 BDGDRN C[C@H]([NH2+]C[C@]1(C)C[C@H]1Br)C(=O)[O-] ZINC000904254363 956945533 /nfs/dbraw/zinc/94/55/33/956945533.db2.gz XGEGOZWWTMUKBB-BBVRLYRLSA-N 0 0 236.109 1.223 20 50 BDGDRN COCC[N@H+](CCC(=O)[O-])C[C@H]1[C@H](Cl)[C@H]1C ZINC001594011264 956997725 /nfs/dbraw/zinc/99/77/25/956997725.db2.gz ZIHYVWXBBWHZMQ-IQJOONFLSA-N 0 0 249.738 1.283 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC001589261432 957034782 /nfs/dbraw/zinc/03/47/82/957034782.db2.gz BMLMHSZTVAOJPB-KDXUFGMBSA-N 0 0 217.696 1.409 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589261592 957035733 /nfs/dbraw/zinc/03/57/33/957035733.db2.gz DDKBMBGAELLLLW-SOYHJAILSA-N 0 0 231.723 1.797 20 50 BDGDRN C[C@H](C[NH2+]C[C@@H]1[C@@H](C)[C@H]1Cl)C(=O)[O-] ZINC001603192637 972294715 /nfs/dbraw/zinc/29/47/15/972294715.db2.gz MVWUCHIEPUZXDV-WCTZXXKLSA-N 0 0 205.685 1.170 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CCC[C@H](C(=O)[O-])C2)[C@H]1Cl ZINC001603355128 972796468 /nfs/dbraw/zinc/79/64/68/972796468.db2.gz MJNGMNNNAFLJLH-XKNYDFJKSA-N 0 0 231.723 1.656 20 50 BDGDRN CC[C@H]([NH2+]C[C@@H]1[C@@H](C)[C@H]1Cl)C(=O)[O-] ZINC001603959563 974436255 /nfs/dbraw/zinc/43/62/55/974436255.db2.gz QSGZYXOLBLWADP-OOJXKGFFSA-N 0 0 205.685 1.313 20 50 BDGDRN CC(C)C[N@@H+](CC(=O)[O-])C[C@H]1[C@H](Cl)[C@H]1C ZINC001591304736 992255398 /nfs/dbraw/zinc/25/53/98/992255398.db2.gz GIUKABRAAUHCQJ-IQJOONFLSA-N 0 0 233.739 1.902 20 50 BDGDRN CCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825226021 607352783 /nfs/dbraw/zinc/35/27/83/607352783.db2.gz YAEBHVYLNJSGSX-UHFFFAOYSA-N 0 0 246.274 1.110 20 50 BDGDRN CCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825224916 607731243 /nfs/dbraw/zinc/73/12/43/607731243.db2.gz GUWYWSUAEDPGTM-UHFFFAOYSA-N 0 0 246.274 1.110 20 50 BDGDRN CC[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1[C@@H](C)[C@H]1Cl ZINC001573768229 960638348 /nfs/dbraw/zinc/63/83/48/960638348.db2.gz JNIBQSDJTBECHP-FNCVBFRFSA-N 0 0 219.712 1.655 20 50 BDGDRN C[C@@H](CBr)C[N@H+](C)CCC(=O)[O-] ZINC001588987689 962763627 /nfs/dbraw/zinc/76/36/27/962763627.db2.gz BBNOVUCDASHMPU-ZETCQYMHSA-N 0 0 238.125 1.424 20 50 BDGDRN C=C(CBr)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC001588605314 983691706 /nfs/dbraw/zinc/69/17/06/983691706.db2.gz HDFWJMCYKXAVTI-SSDOTTSWSA-N 0 0 236.109 1.342 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]C(C)(C)C(=O)[O-] ZINC001594189907 998736463 /nfs/dbraw/zinc/73/64/63/998736463.db2.gz CNBOISHSNFCPSO-XVMARJQXSA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+][C@H]1CCC[C@H]1C(=O)[O-] ZINC001589261659 957037885 /nfs/dbraw/zinc/03/78/85/957037885.db2.gz GJSLVGICJAKMEO-LOLPMWEVSA-N 0 0 231.723 1.703 20 50 BDGDRN C[C@H]1[C@H](C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])[C@H]1Cl ZINC001589261708 957038311 /nfs/dbraw/zinc/03/83/11/957038311.db2.gz GJSLVGICJAKMEO-SVSWQMSJSA-N 0 0 231.723 1.703 20 50 BDGDRN C[C@H]1[C@H](C[NH+]2CCC(C(=O)[O-])CC2)[C@H]1Cl ZINC001589261967 957040941 /nfs/dbraw/zinc/04/09/41/957040941.db2.gz JAFYZRLHDOXNMC-HGNGGELXSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+][C@H]1C[C@H](C(=O)[O-])C1 ZINC001589262372 957045487 /nfs/dbraw/zinc/04/54/87/957045487.db2.gz NPRCERHHGWUPQI-VCQFTWBDSA-N 0 0 217.696 1.313 20 50 BDGDRN C=C(CBr)C[N@H+](C)CCC(=O)[O-] ZINC001609626320 970428482 /nfs/dbraw/zinc/42/84/82/970428482.db2.gz SLJBBOYBEKUVSP-UHFFFAOYSA-N 0 0 236.109 1.344 20 50 BDGDRN CC[C@H]([NH2+]C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001603959462 974436082 /nfs/dbraw/zinc/43/60/82/974436082.db2.gz QSGZYXOLBLWADP-NGJRWZKOSA-N 0 0 205.685 1.313 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001594187160 998723495 /nfs/dbraw/zinc/72/34/95/998723495.db2.gz BVWLYIXZMHFFCX-VEOFNUSFSA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@H]1[C@H](C[NH+]2CC(C)(C(=O)[O-])C2)[C@H]1Cl ZINC001594188938 998734233 /nfs/dbraw/zinc/73/42/33/998734233.db2.gz YIQMMUWODSXVBH-FXQIFTODSA-N 0 0 217.696 1.266 20 50 BDGDRN C/C(=C\C[N@H+]1CC=C(C#N)CC1)C(=O)[O-] ZINC000833381707 605545259 /nfs/dbraw/zinc/54/52/59/605545259.db2.gz DINGIXPFIGPLHR-XNWCZRBMSA-N 0 0 206.245 1.173 20 50 BDGDRN N#CC(C#N)=CNc1ccc(-c2nn[nH]n2)cc1 ZINC000822795832 946178044 /nfs/dbraw/zinc/17/80/44/946178044.db2.gz HYJIASKJWAGTIZ-UHFFFAOYSA-N 0 0 237.226 1.210 20 50 BDGDRN C[C@H](C[NH2+]C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001603192638 972294721 /nfs/dbraw/zinc/29/47/21/972294721.db2.gz MVWUCHIEPUZXDV-XUTVFYLZSA-N 0 0 205.685 1.170 20 50 BDGDRN C[C@H]1[C@H](C[NH2+]CC(C)(C)C(=O)[O-])[C@H]1Cl ZINC001594191026 998744488 /nfs/dbraw/zinc/74/44/88/998744488.db2.gz QLFMWNZKQCQHNX-FXQIFTODSA-N 0 0 219.712 1.560 20 50 BDGDRN C[C@H]1[C@H](C[N@H+](C)CCCC(=O)[O-])[C@H]1Cl ZINC001589262690 957049998 /nfs/dbraw/zinc/04/99/98/957049998.db2.gz RLOYPBNXKXAFPN-NRPADANISA-N 0 0 219.712 1.656 20 50 BDGDRN N#C/C=C/COc1ccc(-c2nn[nH]n2)cc1 ZINC000822807146 946194750 /nfs/dbraw/zinc/19/47/50/946194750.db2.gz ZTHDVFYZRBZSFD-OWOJBTEDSA-N 0 0 227.227 1.325 20 50 BDGDRN C[C@H]1[C@H](C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)[C@H]1Cl ZINC001589262932 957055871 /nfs/dbraw/zinc/05/58/71/957055871.db2.gz VSPBQDVUTIBTJW-FTYOSLGDSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC001589262930 957056395 /nfs/dbraw/zinc/05/63/95/957056395.db2.gz VSPBQDVUTIBTJW-DKIAZLNASA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC001603354529 972790700 /nfs/dbraw/zinc/79/07/00/972790700.db2.gz JDANIGUWCHTXLA-MAUMQABQSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001603354526 972790769 /nfs/dbraw/zinc/79/07/69/972790769.db2.gz JDANIGUWCHTXLA-KDXUFGMBSA-N 0 0 217.696 1.266 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001603355126 972797159 /nfs/dbraw/zinc/79/71/59/972797159.db2.gz MJNGMNNNAFLJLH-SGIHWFKDSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001603430228 973173815 /nfs/dbraw/zinc/17/38/15/973173815.db2.gz NVMGPIWAZPCMQW-QGKZMRNZSA-N 0 0 245.750 1.902 20 50 BDGDRN CC[C@H](C[NH2+]C[C@@H]1[C@@H](C)[C@H]1Cl)C(=O)[O-] ZINC001595167477 979720829 /nfs/dbraw/zinc/72/08/29/979720829.db2.gz QQQXFRMYLKLYGD-FNCVBFRFSA-N 0 0 219.712 1.560 20 50 BDGDRN CC[C@H](C(=O)[O-])[N@H+](C)C[C@H]1[C@H](Cl)[C@H]1C ZINC001573768230 960637068 /nfs/dbraw/zinc/63/70/68/960637068.db2.gz JNIBQSDJTBECHP-JQCXWYLXSA-N 0 0 219.712 1.655 20 50 BDGDRN CC(C)C[C@H]([NH2+]C[C@@H]1[C@@H](C)[C@H]1Cl)C(=O)[O-] ZINC001588905805 962267787 /nfs/dbraw/zinc/26/77/87/962267787.db2.gz LADSYHUFSIXXPN-DOLQZWNJSA-N 0 0 233.739 1.949 20 50 BDGDRN CC[C@H](C[NH2+]C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001595167476 979721056 /nfs/dbraw/zinc/72/10/56/979721056.db2.gz QQQXFRMYLKLYGD-BGZDPUMWSA-N 0 0 219.712 1.560 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001589395867 954370478 /nfs/dbraw/zinc/37/04/78/954370478.db2.gz MWQMYRQRQUBCOY-ZKKRXERASA-N 0 0 245.750 1.902 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]CCC(C)(C)C(=O)[O-] ZINC001589261824 957039801 /nfs/dbraw/zinc/03/98/01/957039801.db2.gz HQHYZLMWZZELBA-DJLDLDEBSA-N 0 0 233.739 1.950 20 50 BDGDRN CC[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1[C@@H](C)[C@@H]1Cl ZINC001573768226 960637912 /nfs/dbraw/zinc/63/79/12/960637912.db2.gz JNIBQSDJTBECHP-BGZDPUMWSA-N 0 0 219.712 1.655 20 50 BDGDRN CC(C)C[C@H]([NH2+]C[C@@H]1[C@@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001588905806 962267017 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20 50 BDGDRN C[C@H]1[C@H](C[NH2+]CCCC(=O)[O-])[C@H]1Cl ZINC001603356093 972811563 /nfs/dbraw/zinc/81/15/63/972811563.db2.gz VWRYFDYUWBSMOI-ZKWXMUAHSA-N 0 0 205.685 1.314 20 50 BDGDRN C=C[C@H]([NH2+]C[C@@]1(C)C[C@@H]1Br)C(=O)[O-] ZINC001588695392 983901140 /nfs/dbraw/zinc/90/11/40/983901140.db2.gz JMVKBHXGWREFJS-ACLDMZEESA-N 0 0 248.120 1.389 20 50 BDGDRN C=C[C@H]([NH2+]C[C@]1(C)C[C@H]1Br)C(=O)[O-] ZINC001588695395 983901187 /nfs/dbraw/zinc/90/11/87/983901187.db2.gz JMVKBHXGWREFJS-OOZYFLPDSA-N 0 0 248.120 1.389 20 50 BDGDRN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H]1[C@H](Cl)[C@H]1C ZINC001594187382 998725858 /nfs/dbraw/zinc/72/58/58/998725858.db2.gz GIEDRTBLQASXDH-FKSUSPILSA-N 0 0 205.685 1.265 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH+]1CCC(C(=O)[O-])CC1 ZINC001589261966 957040701 /nfs/dbraw/zinc/04/07/01/957040701.db2.gz JAFYZRLHDOXNMC-FXBDTBDDSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001594188410 998730935 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C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])CC1CC1 ZINC001573691248 959782241 /nfs/dbraw/zinc/78/22/41/959782241.db2.gz TWSSZHBAIWAZQX-NMLBEHRDSA-N 0 0 231.723 1.656 20 50 BDGDRN N#CC(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801590 946189365 /nfs/dbraw/zinc/18/93/65/946189365.db2.gz KOSLNNFUJIFWNT-UHFFFAOYSA-N 0 0 240.201 1.436 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]CCCCC(=O)[O-] ZINC001589262645 957048948 /nfs/dbraw/zinc/04/89/48/957048948.db2.gz QSJZMMGWEQJCBX-XKSSXDPKSA-N 0 0 219.712 1.704 20 50 BDGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001589262935 957055431 /nfs/dbraw/zinc/05/54/31/957055431.db2.gz VSPBQDVUTIBTJW-QCBRBAQYSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001603354979 972795082 /nfs/dbraw/zinc/79/50/82/972795082.db2.gz MJNGMNNNAFLJLH-AXTSPUMRSA-N 0 0 231.723 1.656 20 50 BDGDRN C[C@H](C[N@H+](C)C[C@@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-] ZINC001592583601 978500399 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