smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cn(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1C ZINC000218387751 201539653 /nfs/dbraw/zinc/53/96/53/201539653.db2.gz DORFHOSWXQBBCX-QGZVFWFLSA-N 1 1 323.400 2.139 50 70 DEIAMO O=C(NCC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H](O)c1ccccc1 ZINC000217712302 402293473 /nfs/dbraw/zinc/29/34/73/402293473.db2.gz QFHABASLTNEXIO-CGTJXYLNSA-N 1 1 316.445 2.491 50 70 DEIAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cc1ccccn1 ZINC000217358692 402291755 /nfs/dbraw/zinc/29/17/55/402291755.db2.gz UBRMULRCIOCCRE-SFHVURJKSA-N 1 1 309.413 2.139 50 70 DEIAMO CN1CC[N@@H+](C)[C@@H](CC(=O)NCc2ccc3sccc3c2)C1 ZINC000217146230 402291082 /nfs/dbraw/zinc/29/10/82/402291082.db2.gz CBFPYLVUPNFGOP-HNNXBMFYSA-N 1 1 317.458 2.153 50 70 DEIAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)NCc1ccc2sccc2c1 ZINC000217146230 402291084 /nfs/dbraw/zinc/29/10/84/402291084.db2.gz CBFPYLVUPNFGOP-HNNXBMFYSA-N 1 1 317.458 2.153 50 70 DEIAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)NCc1ccc2sccc2c1 ZINC000217146230 402291086 /nfs/dbraw/zinc/29/10/86/402291086.db2.gz CBFPYLVUPNFGOP-HNNXBMFYSA-N 1 1 317.458 2.153 50 70 DEIAMO Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc(C(C)C)n1 ZINC000160421017 402344859 /nfs/dbraw/zinc/34/48/59/402344859.db2.gz QQJLNCVDKQQZQW-OAHLLOKOSA-N 1 1 304.438 2.209 50 70 DEIAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(=O)cc(C)o2)cc1 ZINC000218109085 201531128 /nfs/dbraw/zinc/53/11/28/201531128.db2.gz BIAREADYHQGNOX-UHFFFAOYSA-N 1 1 323.352 2.372 50 70 DEIAMO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000161057242 402371026 /nfs/dbraw/zinc/37/10/26/402371026.db2.gz DEBNNHRYGNWJAZ-BIMULSAOSA-N 1 1 314.838 2.195 50 70 DEIAMO CCc1[nH+]ccn1CCNC(=O)c1ccccc1OC(F)F ZINC000218535350 333393645 /nfs/dbraw/zinc/39/36/45/333393645.db2.gz BDRIERLZMRUVNT-UHFFFAOYSA-N 1 1 309.316 2.477 50 70 DEIAMO CCCOc1ccc(CN2CC[N@@H+](C)[C@@H](CO)C2)cc1Cl ZINC000217354338 402292008 /nfs/dbraw/zinc/29/20/08/402292008.db2.gz APHBDWDFMANNRZ-CQSZACIVSA-N 1 1 312.841 2.237 50 70 DEIAMO Cc1cccc(NCCNC(=O)[C@H]2OCCc3ccccc32)[nH+]1 ZINC000161121569 337383439 /nfs/dbraw/zinc/38/34/39/337383439.db2.gz ZXJJXOCMZQSNIU-KRWDZBQOSA-N 1 1 311.385 2.232 50 70 DEIAMO O[C@H]1CN(Cc2cc3ccccc3[nH]2)CCN(c2cc[nH+]cc2)C1 ZINC000217195808 402291250 /nfs/dbraw/zinc/29/12/50/402291250.db2.gz GTYCTVBXEVRPQL-SFHVURJKSA-N 1 1 322.412 2.246 50 70 DEIAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cc1ccccn1 ZINC000217358776 402292057 /nfs/dbraw/zinc/29/20/57/402292057.db2.gz UBRMULRCIOCCRE-GOSISDBHSA-N 1 1 309.413 2.139 50 70 DEIAMO Cc1cccc(CC[N@@H+]2CCCn3nc([C@@H](C)O)cc3C2)n1 ZINC000217362551 402291985 /nfs/dbraw/zinc/29/19/85/402291985.db2.gz QSCYFOJDQMJOCO-CQSZACIVSA-N 1 1 300.406 2.088 50 70 DEIAMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000218478445 402295902 /nfs/dbraw/zinc/29/59/02/402295902.db2.gz WOLBLFVHXWQMQT-UHFFFAOYSA-N 1 1 301.415 2.491 50 70 DEIAMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000218478445 402295904 /nfs/dbraw/zinc/29/59/04/402295904.db2.gz WOLBLFVHXWQMQT-UHFFFAOYSA-N 1 1 301.415 2.491 50 70 DEIAMO CC(C)CCOc1cccc(CN2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000216911021 402289955 /nfs/dbraw/zinc/28/99/55/402289955.db2.gz LQXHDDYXNJEJIM-QGZVFWFLSA-N 1 1 306.450 2.220 50 70 DEIAMO O=C(c1cnco1)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000218371518 280232595 /nfs/dbraw/zinc/23/25/95/280232595.db2.gz AIRDLHOHRTXEKG-CVEARBPZSA-N 1 1 311.385 2.411 50 70 DEIAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)C(=O)c1ccco1 ZINC000217080146 568416188 /nfs/dbraw/zinc/41/61/88/568416188.db2.gz JCMUDXTXHZWRJL-CQSZACIVSA-N 1 1 315.373 2.439 50 70 DEIAMO CC(C)=CCC/C(C)=C/C[N@@H+]1CCn2nc([C@H](O)CO)cc2C1 ZINC000217335418 402292048 /nfs/dbraw/zinc/29/20/48/402292048.db2.gz DCTMTWUKBJTQNH-YLRAASNFSA-N 1 1 319.449 2.417 50 70 DEIAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCn2nc([C@H](O)CO)cc2C1 ZINC000217335418 402292050 /nfs/dbraw/zinc/29/20/50/402292050.db2.gz DCTMTWUKBJTQNH-YLRAASNFSA-N 1 1 319.449 2.417 50 70 DEIAMO CCc1[nH+]ccn1CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000218281782 402295459 /nfs/dbraw/zinc/29/54/59/402295459.db2.gz WTXKQHJHJUVTKB-UHFFFAOYSA-N 1 1 323.400 2.494 50 70 DEIAMO CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+](C)C3)cc1 ZINC000217910947 539727092 /nfs/dbraw/zinc/72/70/92/539727092.db2.gz SAJFCMVCNZMQRK-WMZOPIPTSA-N 1 1 315.461 2.238 50 70 DEIAMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)[C@H]3OC)OCCO2 ZINC000216998738 402290649 /nfs/dbraw/zinc/29/06/49/402290649.db2.gz BZCNCBQTGZFDPR-MCBXIFIFSA-N 1 1 319.401 2.323 50 70 DEIAMO O=C(Cc1cnc[nH]1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000217590506 402292882 /nfs/dbraw/zinc/29/28/82/402292882.db2.gz ONWDORNKMMTQGE-KRWDZBQOSA-N 1 1 312.417 2.296 50 70 DEIAMO O=C(Cc1cnc[nH]1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000217590596 402292847 /nfs/dbraw/zinc/29/28/47/402292847.db2.gz ONWDORNKMMTQGE-QGZVFWFLSA-N 1 1 312.417 2.296 50 70 DEIAMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1CCn1cccn1 ZINC000218143387 402294870 /nfs/dbraw/zinc/29/48/70/402294870.db2.gz RGJLWHYUHDLSPQ-OAHLLOKOSA-N 1 1 315.421 2.113 50 70 DEIAMO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSC[NH2+]3)C2)cc1 ZINC000161309490 402381927 /nfs/dbraw/zinc/38/19/27/402381927.db2.gz OOYZJFIWMDNLNQ-KYOSRNDESA-N 1 1 306.431 2.062 50 70 DEIAMO Cc1cccc2c1ncnc2N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160391950 281310686 /nfs/dbraw/zinc/31/06/86/281310686.db2.gz XSUYUOZMMKFQMU-HNNXBMFYSA-N 1 1 312.417 2.239 50 70 DEIAMO Cc1cccc2c1ncnc2N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160391821 281310330 /nfs/dbraw/zinc/31/03/30/281310330.db2.gz XSUYUOZMMKFQMU-OAHLLOKOSA-N 1 1 312.417 2.239 50 70 DEIAMO O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(F)c1)C2 ZINC000217178074 402291262 /nfs/dbraw/zinc/29/12/62/402291262.db2.gz STWOZRLEMQUZBM-LAQFHYBYSA-N 1 1 301.365 2.419 50 70 DEIAMO Cc1cc(C)n(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000217831448 402293971 /nfs/dbraw/zinc/29/39/71/402293971.db2.gz HSTGXFJSNGQSBN-DLBZAZTESA-N 1 1 318.465 2.271 50 70 biogenic DEIAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCc1cn2ccccc2n1 ZINC000217169097 402291396 /nfs/dbraw/zinc/29/13/96/402291396.db2.gz REKLYCCBYAFXSD-OKILXGFUSA-N 1 1 300.406 2.213 50 70 DEIAMO CCc1ncnc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000160504003 402348502 /nfs/dbraw/zinc/34/85/02/402348502.db2.gz SLOQPOMNVGOCFV-HZSPNIEDSA-N 1 1 322.428 2.256 50 70 DEIAMO CCc1ncnc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000160504003 402348504 /nfs/dbraw/zinc/34/85/04/402348504.db2.gz SLOQPOMNVGOCFV-HZSPNIEDSA-N 1 1 322.428 2.256 50 70 DEIAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 ZINC000217539298 402292864 /nfs/dbraw/zinc/29/28/64/402292864.db2.gz ZAZIGQOPSWDYCQ-NSHDSACASA-N 1 1 305.382 2.219 50 70 DEIAMO COc1cccc(C2(CNC(=O)[C@H]3CSC[NH2+]3)CCCC2)c1 ZINC000159476299 197357142 /nfs/dbraw/zinc/35/71/42/197357142.db2.gz OSHZPOUHMPUJAS-OAHLLOKOSA-N 1 1 320.458 2.286 50 70 DEIAMO OCC1(C[NH+]2CCCC2)CCN(Cc2cccc(O)c2)CC1 ZINC000218016375 402294428 /nfs/dbraw/zinc/29/44/28/402294428.db2.gz KNAFQWTXAMMWNQ-UHFFFAOYSA-N 1 1 304.434 2.063 50 70 DEIAMO Cc1noc(C)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217599131 402293113 /nfs/dbraw/zinc/29/31/13/402293113.db2.gz JRUSAQHGJRHLLS-GOEBONIOSA-N 1 1 305.422 2.215 50 70 biogenic DEIAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000217678899 402293494 /nfs/dbraw/zinc/29/34/94/402293494.db2.gz RVYIYZFXIOQGNR-QLPKVWCKSA-N 1 1 310.401 2.395 50 70 DEIAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)c1nnc(C(C)C)o1 ZINC000217539384 402292838 /nfs/dbraw/zinc/29/28/38/402292838.db2.gz ZAZIGQOPSWDYCQ-LLVKDONJSA-N 1 1 305.382 2.219 50 70 DEIAMO CC(C)CCNc1nc(C(=O)NCCc2cnc[nH]2)cs1 ZINC000218145221 402294767 /nfs/dbraw/zinc/29/47/67/402294767.db2.gz XJEZFFAHSVEXJS-UHFFFAOYSA-N 1 1 307.423 2.297 50 70 DEIAMO Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(C(C)C)n1 ZINC000160421165 402344905 /nfs/dbraw/zinc/34/49/05/402344905.db2.gz QQJLNCVDKQQZQW-HNNXBMFYSA-N 1 1 304.438 2.209 50 70 DEIAMO CCO[C@H]1C[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C[C@@H]1O ZINC000218362102 402295441 /nfs/dbraw/zinc/29/54/41/402295441.db2.gz DXZPKLATNHTNTR-HOCLYGCPSA-N 1 1 309.793 2.197 50 70 DEIAMO Cc1n[nH]c(C)c1CCNC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000218447643 402296006 /nfs/dbraw/zinc/29/60/06/402296006.db2.gz QQZWDHYSTUFHIZ-UHFFFAOYSA-N 1 1 314.433 2.126 50 70 DEIAMO Cc1n[nH]c(C)c1CCNC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000218447643 402296008 /nfs/dbraw/zinc/29/60/08/402296008.db2.gz QQZWDHYSTUFHIZ-UHFFFAOYSA-N 1 1 314.433 2.126 50 70 DEIAMO CC(C)=CCC/C(C)=C/C[N@@H+]1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217335340 402291845 /nfs/dbraw/zinc/29/18/45/402291845.db2.gz DCTMTWUKBJTQNH-APSGNOSNSA-N 1 1 319.449 2.417 50 70 DEIAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217335340 402291848 /nfs/dbraw/zinc/29/18/48/402291848.db2.gz DCTMTWUKBJTQNH-APSGNOSNSA-N 1 1 319.449 2.417 50 70 DEIAMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1CCn1cccn1 ZINC000218143470 402294880 /nfs/dbraw/zinc/29/48/80/402294880.db2.gz RGJLWHYUHDLSPQ-HNNXBMFYSA-N 1 1 315.421 2.113 50 70 DEIAMO Cc1ccc(C)n1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000218087288 201531492 /nfs/dbraw/zinc/53/14/92/201531492.db2.gz XGCLXCXDGFNQRH-DLBZAZTESA-N 1 1 303.450 2.486 50 70 biogenic DEIAMO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)no1 ZINC000218250217 402295308 /nfs/dbraw/zinc/29/53/08/402295308.db2.gz XJXQMJOJOVLHMU-ZDUSSCGKSA-N 1 1 303.362 2.104 50 70 DEIAMO Cn1nc(-c2ccccc2)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000217012045 402290799 /nfs/dbraw/zinc/29/07/99/402290799.db2.gz PJJZQNIHBVKDST-GOEBONIOSA-N 1 1 324.428 2.253 50 70 DEIAMO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000161055911 402370933 /nfs/dbraw/zinc/37/09/33/402370933.db2.gz DEBNNHRYGNWJAZ-ICCXJUOJSA-N 1 1 314.838 2.195 50 70 DEIAMO COc1cccc(C2(CNC(=O)[C@@H]3CSC[NH2+]3)CCCC2)c1 ZINC000159476168 197356691 /nfs/dbraw/zinc/35/66/91/197356691.db2.gz OSHZPOUHMPUJAS-HNNXBMFYSA-N 1 1 320.458 2.286 50 70 DEIAMO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000161055778 402370715 /nfs/dbraw/zinc/37/07/15/402370715.db2.gz DEBNNHRYGNWJAZ-XDTLVQLUSA-N 1 1 314.838 2.195 50 70 DEIAMO C[N@@H+](CCN1CCO[C@H]([C@@H]2CCCO2)C1)Cc1ccc(F)cc1 ZINC000160128397 355964136 /nfs/dbraw/zinc/96/41/36/355964136.db2.gz UKVAQJNZHUUGGS-ROUUACIJSA-N 1 1 322.424 2.137 50 70 DEIAMO Cc1cccc(NCCNC(=O)[C@@H]2OCCc3ccccc32)[nH+]1 ZINC000161121712 337383427 /nfs/dbraw/zinc/38/34/27/337383427.db2.gz ZXJJXOCMZQSNIU-QGZVFWFLSA-N 1 1 311.385 2.232 50 70 DEIAMO Cc1ccc([C@H](C(=O)N(C)CCc2cnn(C)c2)[NH+](C)C)cc1 ZINC000217178900 402291315 /nfs/dbraw/zinc/29/13/15/402291315.db2.gz SUPICLFQEYUECC-QGZVFWFLSA-N 1 1 314.433 2.032 50 70 DEIAMO CCc1ncnc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000160504150 402348793 /nfs/dbraw/zinc/34/87/93/402348793.db2.gz SLOQPOMNVGOCFV-MJBXVCDLSA-N 1 1 322.428 2.256 50 70 DEIAMO CCc1ncnc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000160504150 402348797 /nfs/dbraw/zinc/34/87/97/402348797.db2.gz SLOQPOMNVGOCFV-MJBXVCDLSA-N 1 1 322.428 2.256 50 70 DEIAMO C=Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)nc1 ZINC000216978575 402290672 /nfs/dbraw/zinc/29/06/72/402290672.db2.gz YCGIXJYTACHRRL-GOSISDBHSA-N 1 1 309.413 2.408 50 70 DEIAMO Cc1ccc([C@@H](C(=O)N(C)CCc2cnn(C)c2)[NH+](C)C)cc1 ZINC000217178895 402291504 /nfs/dbraw/zinc/29/15/04/402291504.db2.gz SUPICLFQEYUECC-KRWDZBQOSA-N 1 1 314.433 2.032 50 70 DEIAMO OCc1cc2n(n1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000216993180 402290557 /nfs/dbraw/zinc/29/05/57/402290557.db2.gz HFCDYCBBSPEWMI-UHFFFAOYSA-N 1 1 308.385 2.330 50 70 DEIAMO OCc1cc2n(n1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000216993180 402290559 /nfs/dbraw/zinc/29/05/59/402290559.db2.gz HFCDYCBBSPEWMI-UHFFFAOYSA-N 1 1 308.385 2.330 50 70 DEIAMO CC[C@@H]1[C@@H](NC(=O)Cc2ccc3nc(C)[nH]c3c2)[C@@H]2CCO[C@H]12 ZINC000218157075 402294673 /nfs/dbraw/zinc/29/46/73/402294673.db2.gz GGYYZNDBLYMNIC-JGTCGTHISA-N 1 1 313.401 2.344 50 70 DEIAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C(=O)c1ccco1 ZINC000217080119 568416220 /nfs/dbraw/zinc/41/62/20/568416220.db2.gz JCMUDXTXHZWRJL-AWEZNQCLSA-N 1 1 315.373 2.439 50 70 DEIAMO Cc1cccc(CC[N@@H+]2CCCn3nc([C@H](C)O)cc3C2)n1 ZINC000217362633 402291947 /nfs/dbraw/zinc/29/19/47/402291947.db2.gz QSCYFOJDQMJOCO-AWEZNQCLSA-N 1 1 300.406 2.088 50 70 DEIAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161489403 402389362 /nfs/dbraw/zinc/38/93/62/402389362.db2.gz UGOURROCLNPOEC-DLTWYDFYSA-N 1 1 304.434 2.203 50 70 DEIAMO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000161057383 402370790 /nfs/dbraw/zinc/37/07/90/402370790.db2.gz DEBNNHRYGNWJAZ-WQAKAFBOSA-N 1 1 314.838 2.195 50 70 DEIAMO Cc1[nH+]cn(CC(=O)N[C@H](c2nccn2C)c2ccccc2)c1C ZINC000218387839 402295419 /nfs/dbraw/zinc/29/54/19/402295419.db2.gz DORFHOSWXQBBCX-KRWDZBQOSA-N 1 1 323.400 2.139 50 70 DEIAMO Cc1[nH+]ccn1CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217757797 402293392 /nfs/dbraw/zinc/29/33/92/402293392.db2.gz KFDAMFBIIKZSFN-UHFFFAOYSA-N 1 1 309.373 2.084 50 70 DEIAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)no1 ZINC000218250167 402295541 /nfs/dbraw/zinc/29/55/41/402295541.db2.gz XJXQMJOJOVLHMU-CYBMUJFWSA-N 1 1 303.362 2.104 50 70 DEIAMO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CSC[NH2+]3)C2)cc1 ZINC000161309625 402382136 /nfs/dbraw/zinc/38/21/36/402382136.db2.gz OOYZJFIWMDNLNQ-LNSITVRQSA-N 1 1 306.431 2.062 50 70 DEIAMO Cc1cnn(CCC(=O)NCCCn2cc[nH+]c2C(C)C)c1 ZINC000218412288 402296150 /nfs/dbraw/zinc/29/61/50/402296150.db2.gz YNSQIQLJEZIJDS-UHFFFAOYSA-N 1 1 303.410 2.108 50 70 DEIAMO