smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1CC ZINC000160321875 206289134 /nfs/dbraw/zinc/28/91/34/206289134.db2.gz ZXGLNWCEYIOFRM-QWHCGFSZSA-N 1 1 347.463 1.273 10 70 EDIEMO CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000159453039 441814853 /nfs/dbraw/zinc/81/48/53/441814853.db2.gz GFUGNYOKNUZBJT-KGLIPLIRSA-N 1 1 334.468 1.357 10 70 EDIEMO CNC(=O)[C@H]1CCCN1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000159394403 540009152 /nfs/dbraw/zinc/00/91/52/540009152.db2.gz CVUVPCPFUGBHJE-DOTOQJQBSA-N 1 1 346.475 1.817 10 70 EDIEMO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc2c(F)cc(F)cc12 ZINC000159884221 441844587 /nfs/dbraw/zinc/84/45/87/441844587.db2.gz HHUITDDEKBRUDR-ZDUSSCGKSA-N 1 1 337.370 1.642 10 70 EDIEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C[C@@H]1C ZINC000160893111 441932794 /nfs/dbraw/zinc/93/27/94/441932794.db2.gz SNWAJJHOWONVDG-LSDHHAIUSA-N 1 1 336.432 1.125 10 70 EDIEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C[C@@H]1C ZINC000160893111 441932801 /nfs/dbraw/zinc/93/28/01/441932801.db2.gz SNWAJJHOWONVDG-LSDHHAIUSA-N 1 1 336.432 1.125 10 70 EDIEMO CCC[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)[NH+](C)C ZINC000159511697 206249430 /nfs/dbraw/zinc/24/94/30/206249430.db2.gz MJRPYRXYAMTCAG-MRXNPFEDSA-N 1 1 333.480 1.180 10 70 EDIEMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000159999592 441853127 /nfs/dbraw/zinc/85/31/27/441853127.db2.gz OQFOLTDGLVGZDA-OAHLLOKOSA-N 1 1 346.435 1.181 10 70 EDIEMO CC(C)[C@H](O)CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000161383165 206344290 /nfs/dbraw/zinc/34/42/90/206344290.db2.gz AXTKPUARZWMLTD-GOSISDBHSA-N 1 1 349.475 1.658 10 70 EDIEMO CC(C)[C@H](O)CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000161383165 206344295 /nfs/dbraw/zinc/34/42/95/206344295.db2.gz AXTKPUARZWMLTD-GOSISDBHSA-N 1 1 349.475 1.658 10 70 EDIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)CCN3C)[C@@H](C)C1 ZINC000161296812 441981536 /nfs/dbraw/zinc/98/15/36/441981536.db2.gz UHOZVKAOFLSBEC-BBRMVZONSA-N 1 1 344.459 1.924 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000160024936 206275844 /nfs/dbraw/zinc/27/58/44/206275844.db2.gz IGXHUJQXBONPNK-ARFHVFGLSA-N 1 1 327.469 1.600 10 70 EDIEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)OC(C)C ZINC000160056843 441855900 /nfs/dbraw/zinc/85/59/00/441855900.db2.gz ZDCDAFCVPXPXEY-HUUCEWRRSA-N 1 1 325.453 1.986 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000160505712 441889403 /nfs/dbraw/zinc/88/94/03/441889403.db2.gz FIGWTIMVKHHTDS-ZIAGYGMSSA-N 1 1 333.498 1.229 10 70 EDIEMO CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161352531 441990425 /nfs/dbraw/zinc/99/04/25/441990425.db2.gz TZCJVWPLVIRAGP-HNNXBMFYSA-N 1 1 337.468 1.410 10 70 EDIEMO CCCCOCCNC(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161352531 441990427 /nfs/dbraw/zinc/99/04/27/441990427.db2.gz TZCJVWPLVIRAGP-HNNXBMFYSA-N 1 1 337.468 1.410 10 70 EDIEMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160552784 491019315 /nfs/dbraw/zinc/01/93/15/491019315.db2.gz JJKYIRRQXBCHDX-VIFPVBQESA-N 1 1 347.341 1.366 10 70 EDIEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000161264583 441978726 /nfs/dbraw/zinc/97/87/26/441978726.db2.gz UHUJTJCSWRMIRT-UHFFFAOYSA-N 1 1 332.383 1.694 10 70 EDIEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000161264583 441978732 /nfs/dbraw/zinc/97/87/32/441978732.db2.gz UHUJTJCSWRMIRT-UHFFFAOYSA-N 1 1 332.383 1.694 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000160510536 441891597 /nfs/dbraw/zinc/89/15/97/441891597.db2.gz MYCVBIGDECGQKV-QGZVFWFLSA-N 1 1 342.447 1.441 10 70 EDIEMO NC(=O)NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161068653 441952834 /nfs/dbraw/zinc/95/28/34/441952834.db2.gz VTRFKWAXUUIXDX-NWDGAFQWSA-N 1 1 345.321 1.398 10 70 EDIEMO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000159490975 529923628 /nfs/dbraw/zinc/92/36/28/529923628.db2.gz SSKVOZXMWNRZOT-OAHLLOKOSA-N 1 1 336.411 1.178 10 70 EDIEMO COC(C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1)OC ZINC000160958272 441941736 /nfs/dbraw/zinc/94/17/36/441941736.db2.gz AHUBLHOUZKJCRY-UHFFFAOYSA-N 1 1 330.432 1.609 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000160486184 527975891 /nfs/dbraw/zinc/97/58/91/527975891.db2.gz KDWBKQXTRGNTJS-CQSZACIVSA-N 1 1 330.432 1.566 10 70 EDIEMO CCNC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160414305 540023159 /nfs/dbraw/zinc/02/31/59/540023159.db2.gz JLDLVIPMXPUTCL-HUUCEWRRSA-N 1 1 339.484 1.210 10 70 EDIEMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161212366 441973297 /nfs/dbraw/zinc/97/32/97/441973297.db2.gz WLSPYFFHQCURNM-INIZCTEOSA-N 1 1 348.495 1.746 10 70 EDIEMO C[C@@H]1C[N@@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000160077942 441857180 /nfs/dbraw/zinc/85/71/80/441857180.db2.gz IOICRLRHCSIDOU-APWZRJJASA-N 1 1 335.467 1.910 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccco1 ZINC000160458709 441886483 /nfs/dbraw/zinc/88/64/83/441886483.db2.gz CRIGDKAFKGRYBC-CQSZACIVSA-N 1 1 336.436 1.315 10 70 EDIEMO Cn1cc[nH+]c1C[C@H](NN)c1cccc(I)c1 ZINC000159413238 225211554 /nfs/dbraw/zinc/21/15/54/225211554.db2.gz YMWVHKAQNVYWDU-NSHDSACASA-N 1 1 342.184 1.772 10 70 EDIEMO Cn1cc[nH+]c1C[C@H](NN)c1csc(I)c1 ZINC000159448304 225220375 /nfs/dbraw/zinc/22/03/75/225220375.db2.gz YXSWCRIPORYFKR-QMMMGPOBSA-N 1 1 348.213 1.833 10 70 EDIEMO Cc1onc(-c2ccccn2)c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000161212631 441973655 /nfs/dbraw/zinc/97/36/55/441973655.db2.gz MDZHEYLVKLMPCK-QWHCGFSZSA-N 1 1 344.415 1.572 10 70 EDIEMO Cc1onc(-c2ccccn2)c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000161212631 441973657 /nfs/dbraw/zinc/97/36/57/441973657.db2.gz MDZHEYLVKLMPCK-QWHCGFSZSA-N 1 1 344.415 1.572 10 70 EDIEMO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160909353 441934716 /nfs/dbraw/zinc/93/47/16/441934716.db2.gz WSFGOJHSCSIMMO-KSSFIOAISA-N 1 1 335.448 1.478 10 70 EDIEMO CCC(CC)(CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(=O)OC ZINC000160226514 441867007 /nfs/dbraw/zinc/86/70/07/441867007.db2.gz FENFSUZDVIWRFG-UONOGXRCSA-N 1 1 327.469 1.994 10 70 EDIEMO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000160975513 441942227 /nfs/dbraw/zinc/94/22/27/441942227.db2.gz CRSRIFLGCUVDPB-ZDUSSCGKSA-N 1 1 345.403 1.680 10 70 EDIEMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000161241787 441975669 /nfs/dbraw/zinc/97/56/69/441975669.db2.gz WZPXPOXKUONPTI-GXFFZTMASA-N 1 1 331.420 1.029 10 70 EDIEMO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160071814 225331104 /nfs/dbraw/zinc/33/11/04/225331104.db2.gz ULYYZBXZCUKDKA-UHFFFAOYSA-N 1 1 331.420 1.454 10 70 EDIEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159556355 441821384 /nfs/dbraw/zinc/82/13/84/441821384.db2.gz ROURXGSILCTJTR-HNNXBMFYSA-N 1 1 335.452 1.410 10 70 EDIEMO CCOCC[N@H+]1CCN(C(=O)NCCc2cscn2)C[C@@H]1CC ZINC000159582745 441823347 /nfs/dbraw/zinc/82/33/47/441823347.db2.gz IHCPHIPBNNXHOY-HNNXBMFYSA-N 1 1 340.493 1.828 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000160467354 441886149 /nfs/dbraw/zinc/88/61/49/441886149.db2.gz IPFWTFSVMBFNHF-MRXNPFEDSA-N 1 1 347.459 1.791 10 70 EDIEMO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161293653 441982344 /nfs/dbraw/zinc/98/23/44/441982344.db2.gz BLMBVJAMPHOVMU-CYBMUJFWSA-N 1 1 336.440 1.103 10 70 EDIEMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161293653 441982352 /nfs/dbraw/zinc/98/23/52/441982352.db2.gz BLMBVJAMPHOVMU-CYBMUJFWSA-N 1 1 336.440 1.103 10 70 EDIEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159557230 441821466 /nfs/dbraw/zinc/82/14/66/441821466.db2.gz XCTNKHRVOYNBJH-MRXNPFEDSA-N 1 1 349.479 1.420 10 70 EDIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000161154434 441965349 /nfs/dbraw/zinc/96/53/49/441965349.db2.gz ROMJCEUIKVELDD-DYVFJYSZSA-N 1 1 327.428 1.916 10 70 EDIEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000160632264 441903363 /nfs/dbraw/zinc/90/33/63/441903363.db2.gz AQBPFOUPDIVAJS-NSHDSACASA-N 1 1 332.326 1.024 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc2ccccc2c1=O ZINC000160538176 441893649 /nfs/dbraw/zinc/89/36/49/441893649.db2.gz NPSPCIDIYIZXNJ-OAHLLOKOSA-N 1 1 342.443 1.633 10 70 EDIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000161420804 441998464 /nfs/dbraw/zinc/99/84/64/441998464.db2.gz FBLKLLGYGAYXDB-CQSZACIVSA-N 1 1 331.420 1.729 10 70 EDIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000161420804 441998469 /nfs/dbraw/zinc/99/84/69/441998469.db2.gz FBLKLLGYGAYXDB-CQSZACIVSA-N 1 1 331.420 1.729 10 70 EDIEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000159826109 441841181 /nfs/dbraw/zinc/84/11/81/441841181.db2.gz DNNAOFLOIVIZRE-QGZVFWFLSA-N 1 1 337.508 1.678 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000159825340 441842068 /nfs/dbraw/zinc/84/20/68/441842068.db2.gz GRIKZEQOLIQGBB-DLBZAZTESA-N 1 1 340.512 1.374 10 70 EDIEMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161212245 441971969 /nfs/dbraw/zinc/97/19/69/441971969.db2.gz WLSPYFFHQCURNM-MRXNPFEDSA-N 1 1 348.495 1.746 10 70 EDIEMO CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159899817 225298232 /nfs/dbraw/zinc/29/82/32/225298232.db2.gz WLUQOJULPAVFFH-ZIAGYGMSSA-N 1 1 333.498 1.229 10 70 EDIEMO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161293498 441982109 /nfs/dbraw/zinc/98/21/09/441982109.db2.gz BLMBVJAMPHOVMU-ZDUSSCGKSA-N 1 1 336.440 1.103 10 70 EDIEMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161293498 441982116 /nfs/dbraw/zinc/98/21/16/441982116.db2.gz BLMBVJAMPHOVMU-ZDUSSCGKSA-N 1 1 336.440 1.103 10 70 EDIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000161327030 441986390 /nfs/dbraw/zinc/98/63/90/441986390.db2.gz ZTCNZMXXQCSJRG-GFCCVEGCSA-N 1 1 336.440 1.102 10 70 EDIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000161327030 441986395 /nfs/dbraw/zinc/98/63/95/441986395.db2.gz ZTCNZMXXQCSJRG-GFCCVEGCSA-N 1 1 336.440 1.102 10 70 EDIEMO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1CC ZINC000159772923 529697373 /nfs/dbraw/zinc/69/73/73/529697373.db2.gz AYUGODDNZVEYJR-BLLLJJGKSA-N 1 1 349.479 1.423 10 70 EDIEMO Cn1cc[nH+]c1C[C@H](NN)c1ccc(I)cc1 ZINC000159453909 225220264 /nfs/dbraw/zinc/22/02/64/225220264.db2.gz WZXJZUUBAOADPO-NSHDSACASA-N 1 1 342.184 1.772 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1nncn1C ZINC000160380439 441875595 /nfs/dbraw/zinc/87/55/95/441875595.db2.gz CHXRVTKFCOJNHW-CHWSQXEVSA-N 1 1 325.482 1.532 10 70 EDIEMO COCCC1(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000161031895 441949097 /nfs/dbraw/zinc/94/90/97/441949097.db2.gz ZOTODDOLEVPIDE-GJZGRUSLSA-N 1 1 325.453 1.165 10 70 EDIEMO CCNS(=O)(=O)[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000161382212 441992294 /nfs/dbraw/zinc/99/22/94/441992294.db2.gz VCOKTMJUMCEZAI-INIZCTEOSA-N 1 1 343.468 1.271 10 70 EDIEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000161316985 441984940 /nfs/dbraw/zinc/98/49/40/441984940.db2.gz NUMZOFBLLHJMOZ-INIZCTEOSA-N 1 1 327.432 1.794 10 70 EDIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000161316985 441984946 /nfs/dbraw/zinc/98/49/46/441984946.db2.gz NUMZOFBLLHJMOZ-INIZCTEOSA-N 1 1 327.432 1.794 10 70 EDIEMO CCOCC[N@@H+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)C[C@@H]1C ZINC000159406614 528754971 /nfs/dbraw/zinc/75/49/71/528754971.db2.gz KIBPIDGJWFPGCK-AWEZNQCLSA-N 1 1 336.484 1.608 10 70 EDIEMO CCOCC[N@H+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)C[C@@H]1C ZINC000159406614 528754973 /nfs/dbraw/zinc/75/49/73/528754973.db2.gz KIBPIDGJWFPGCK-AWEZNQCLSA-N 1 1 336.484 1.608 10 70 EDIEMO COCCc1noc(CN(C)CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000160161812 441862808 /nfs/dbraw/zinc/86/28/08/441862808.db2.gz ZWSNWJWPKNFAFA-UHFFFAOYSA-N 1 1 336.411 1.961 10 70 EDIEMO CCc1nccn1[C@H]1CCC[N@@H+](CCc2cn(CC(=O)OC)nn2)C1 ZINC000160003650 441854075 /nfs/dbraw/zinc/85/40/75/441854075.db2.gz UVCINRHUMMBHLP-HNNXBMFYSA-N 1 1 346.435 1.090 10 70 EDIEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159557117 441821410 /nfs/dbraw/zinc/82/14/10/441821410.db2.gz XCTNKHRVOYNBJH-INIZCTEOSA-N 1 1 349.479 1.420 10 70 EDIEMO Cc1cc(C)n2nc(CC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)nc2n1 ZINC000160585894 441898721 /nfs/dbraw/zinc/89/87/21/441898721.db2.gz PILIYOIRBPFPJK-OAHLLOKOSA-N 1 1 344.463 1.520 10 70 EDIEMO Cc1onc(-c2ccccn2)c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000161212505 441973506 /nfs/dbraw/zinc/97/35/06/441973506.db2.gz MDZHEYLVKLMPCK-CHWSQXEVSA-N 1 1 344.415 1.572 10 70 EDIEMO Cc1onc(-c2ccccn2)c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000161212505 441973511 /nfs/dbraw/zinc/97/35/11/441973511.db2.gz MDZHEYLVKLMPCK-CHWSQXEVSA-N 1 1 344.415 1.572 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000160575581 441897148 /nfs/dbraw/zinc/89/71/48/441897148.db2.gz DMZDXHFOADLHEM-CQSZACIVSA-N 1 1 330.494 1.438 10 70 EDIEMO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000159854713 527978793 /nfs/dbraw/zinc/97/87/93/527978793.db2.gz WMCPWIYRZQBFQV-DLBZAZTESA-N 1 1 339.528 1.042 10 70 EDIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000159854713 527978796 /nfs/dbraw/zinc/97/87/96/527978796.db2.gz WMCPWIYRZQBFQV-DLBZAZTESA-N 1 1 339.528 1.042 10 70 EDIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160697595 441910345 /nfs/dbraw/zinc/91/03/45/441910345.db2.gz WCVXFYLLQLJTJI-AEFFLSMTSA-N 1 1 345.491 1.638 10 70 EDIEMO CCNC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160414187 540023072 /nfs/dbraw/zinc/02/30/72/540023072.db2.gz JLDLVIPMXPUTCL-LSDHHAIUSA-N 1 1 339.484 1.210 10 70 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