smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1(Nc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000033607774 202268221 /nfs/dbraw/zinc/26/82/21/202268221.db2.gz TVNMBSRPUFFJBV-UHFFFAOYSA-N 1 0 325.843 4.310 10 30 EIEERO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415333 717119250 /nfs/dbraw/zinc/11/92/50/717119250.db2.gz BHGJEHOHMWLLPW-MSOLQXFVSA-O 1 0 345.551 4.470 10 30 EIEERO CCCCCCCC[N+](Cc1ccccc1)(C[C@H](C)O)C[C@H](C)O ZINC000111404635 717148089 /nfs/dbraw/zinc/14/80/89/717148089.db2.gz LFWRBFHRIKVEST-PMACEKPBSA-N 1 0 336.540 4.126 10 30 EIEERO C[N+](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 ZINC000007760703 717106229 /nfs/dbraw/zinc/10/62/29/717106229.db2.gz GFZRCPQENRKFRY-UHFFFAOYSA-O 1 0 349.804 4.316 10 30 EIEERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000015457943 717112391 /nfs/dbraw/zinc/11/23/91/717112391.db2.gz YIZQSYNPBSOBBT-CYBMUJFWSA-O 1 0 339.887 4.003 10 30 EIEERO C[N+](C)(CC(=O)N(C1CCCCC1)C1CCCCC1)C1CCCC1 ZINC000057939904 717131127 /nfs/dbraw/zinc/13/11/27/717131127.db2.gz NVQDILUBSQGZJX-UHFFFAOYSA-N 1 0 335.556 4.499 10 30 EIEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000093818292 1039759956 /nfs/dbraw/zinc/75/99/56/1039759956.db2.gz ATFFVDWKUACLDP-KRWDZBQOSA-N 1 0 342.483 4.149 10 30 EIEERO C[N+](C)(CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CCCC1 ZINC000041863502 717128102 /nfs/dbraw/zinc/12/81/02/717128102.db2.gz GKQTXBHMIQOZTC-UHFFFAOYSA-O 1 0 339.459 4.436 10 30 EIEERO C/C(Cl)=C\C[N+]1(CC#Cc2cccc3ccccc23)CCOCC1 ZINC000026950144 717113936 /nfs/dbraw/zinc/11/39/36/717113936.db2.gz BTVIVARCTBQDLL-WOJGMQOQSA-N 1 0 340.874 4.181 10 30 EIEERO CCCCCCC/C(=N/NC(N)=S)c1ccc([N+](C)(C)CC)cc1 ZINC000137037999 717151402 /nfs/dbraw/zinc/15/14/02/717151402.db2.gz JJIDPCVYDAUDDT-UZYVYHOESA-O 1 0 349.568 4.171 10 30 EIEERO [NH3+]CC#Cc1ccc(CSc2cccc(Br)c2)cc1 ZINC000055309085 214305371 /nfs/dbraw/zinc/30/53/71/214305371.db2.gz SAUAIYQRGXECKA-UHFFFAOYSA-N 1 0 332.266 4.052 10 30 EIEERO N#Cc1ccccc1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065466429 564134338 /nfs/dbraw/zinc/13/43/38/564134338.db2.gz LADFUUYHCAHDIA-OAQYLSRUSA-N 1 0 340.430 4.005 10 30 EIEERO CCCCCCCC[N+](Cc1ccccc1)(C[C@@H](C)O)C[C@@H](C)O ZINC000111404628 717147995 /nfs/dbraw/zinc/14/79/95/717147995.db2.gz LFWRBFHRIKVEST-WOJBJXKFSA-N 1 0 336.540 4.126 10 30 EIEERO Cc1cc(C(=O)C[N+](C)(C)C2CCCC2)c(C)n1Cc1cccs1 ZINC000007760399 717106054 /nfs/dbraw/zinc/10/60/54/717106054.db2.gz BOWZFSQRTAQTRT-UHFFFAOYSA-N 1 0 345.532 4.416 10 30 EIEERO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N+](C)(C)C1CCCC1 ZINC000024156011 717113423 /nfs/dbraw/zinc/11/34/23/717113423.db2.gz HVVXLNPFQADVCA-NSHDSACASA-O 1 0 330.279 4.339 10 30 EIEERO CCCCCCCC[N@+](Cc1ccccc1)(C[C@@H](C)O)C[C@H](C)O ZINC000585669832 717184994 /nfs/dbraw/zinc/18/49/94/717184994.db2.gz LFWRBFHRIKVEST-XVAYZXCPSA-N 1 0 336.540 4.126 10 30 EIEERO C[N+](C)(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCCC1 ZINC000007760163 717105895 /nfs/dbraw/zinc/10/58/95/717105895.db2.gz CLXGIKXMKJIEFA-UHFFFAOYSA-O 1 0 339.459 4.436 10 30 EIEERO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N+](C)(C)C1CCCC1 ZINC000111377428 717148328 /nfs/dbraw/zinc/14/83/28/717148328.db2.gz VDTJZKLZRJGBTA-DLBZAZTESA-O 1 0 343.535 4.150 10 30 EIEERO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788641 1039591744 /nfs/dbraw/zinc/59/17/44/1039591744.db2.gz TYKYAMXAAGVPBW-QGZVFWFLSA-N 1 0 341.480 4.205 10 30 EIEERO CCOc1ccc2c(NN=Cc3ccc(OC)cc3)cc(C)[nH+]c2c1 ZINC000029135156 202181598 /nfs/dbraw/zinc/18/15/98/202181598.db2.gz SEOSEBZSTUFFAK-FYJGNVAPSA-N 1 0 335.407 4.397 10 30 EIEERO C=C(Br)COc1c(C)cc(C[NH2+]CC(C)C)cc1C ZINC000103967832 206479438 /nfs/dbraw/zinc/47/94/38/206479438.db2.gz NMZMQXQNZUSWFW-UHFFFAOYSA-N 1 0 326.278 4.336 10 30 EIEERO C[C@@H]1CCC[C@@H](C)[NH+]1CC#C[C@](O)(c1ccccc1)C1CCCC1 ZINC000230227467 564155184 /nfs/dbraw/zinc/15/51/84/564155184.db2.gz ATYQNPRNSQFWAE-KNKQGSTJSA-N 1 0 325.496 4.331 10 30 EIEERO C[C@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000111377432 717148237 /nfs/dbraw/zinc/14/82/37/717148237.db2.gz VDTJZKLZRJGBTA-IRXDYDNUSA-O 1 0 343.535 4.150 10 30 EIEERO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N+](C)(C)C1CCCC1 ZINC000007760198 717106204 /nfs/dbraw/zinc/10/62/04/717106204.db2.gz WIBJEBBWLLQEIN-LLVKDONJSA-O 1 0 330.279 4.339 10 30 EIEERO Nc1ccccc1C(=[NH+][N-]c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000083323745 563973407 /nfs/dbraw/zinc/97/34/07/563973407.db2.gz DNLDHLCLOIYUGS-QOCHGBHMSA-N 1 0 332.363 4.042 10 30 EIEERO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N+](C)(C)C1CCCC1 ZINC000007760482 717105920 /nfs/dbraw/zinc/10/59/20/717105920.db2.gz LZCRYQFKTBWGNO-NSHDSACASA-O 1 0 330.279 4.339 10 30 EIEERO Cc1cc(C(=O)C[N+](C)(C)C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000007760297 717105929 /nfs/dbraw/zinc/10/59/29/717105929.db2.gz XHKMGKRPEFGNDH-UHFFFAOYSA-N 1 0 343.466 4.435 10 30 EIEERO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788640 1039588273 /nfs/dbraw/zinc/58/82/73/1039588273.db2.gz TYKYAMXAAGVPBW-KRWDZBQOSA-N 1 0 341.480 4.205 10 30 EIEERO CCC[NH2+][C@H](C)c1cc(Br)ccc1O[C@@H](C#N)CC ZINC000052067807 214115188 /nfs/dbraw/zinc/11/51/88/214115188.db2.gz UEDICIOMAGHEDG-DGCLKSJQSA-N 1 0 325.250 4.191 10 30 EIEERO [NH3+]CC#Cc1csc(CSc2cccc(Br)c2)c1 ZINC000055309071 214304964 /nfs/dbraw/zinc/30/49/64/214304964.db2.gz DFGVGTQEUXYPMP-UHFFFAOYSA-N 1 0 338.295 4.113 10 30 EIEERO N#Cc1ccccc1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065466426 564134357 /nfs/dbraw/zinc/13/43/57/564134357.db2.gz LADFUUYHCAHDIA-NRFANRHFSA-N 1 0 340.430 4.005 10 30 EIEERO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415330 717119160 /nfs/dbraw/zinc/11/91/60/717119160.db2.gz BHGJEHOHMWLLPW-ZWKOTPCHSA-O 1 0 345.551 4.470 10 30 EIEERO C[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc(Cl)cc1Cl ZINC000024156448 717113489 /nfs/dbraw/zinc/11/34/89/717113489.db2.gz KLSMZPCZIKYBHH-LBPRGKRZSA-O 1 0 344.306 4.190 10 30 EIEERO C[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2ccccc2c1 ZINC000029414140 717118605 /nfs/dbraw/zinc/11/86/05/717118605.db2.gz JMTLOUYIUPCDDO-MRXNPFEDSA-O 1 0 325.476 4.036 10 30 EIEERO C=CC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876225 518956223 /nfs/dbraw/zinc/95/62/23/518956223.db2.gz TZOPWPNILPRECG-UHFFFAOYSA-N 1 0 335.806 4.342 10 30 EIEERO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N+](C)(C)C1CCCC1 ZINC000024156014 717113645 /nfs/dbraw/zinc/11/36/45/717113645.db2.gz HVVXLNPFQADVCA-LLVKDONJSA-O 1 0 330.279 4.339 10 30 EIEERO C[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029414776 717118780 /nfs/dbraw/zinc/11/87/80/717118780.db2.gz ADFYCGGWOKUQIE-MRXNPFEDSA-O 1 0 325.476 4.036 10 30 EIEERO CC(C)CCN(CCC(C)C)C(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000073713130 717134875 /nfs/dbraw/zinc/13/48/75/717134875.db2.gz VJSGRJSZLDBWHS-GOSISDBHSA-N 1 0 325.561 4.315 10 30 EIEERO CCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)[N+](C)(C)C ZINC000725407857 717188878 /nfs/dbraw/zinc/18/88/78/717188878.db2.gz JYPXCWVRRNCRJV-YIVRLKKSSA-N 1 0 328.561 4.282 10 30 EIEERO Cc1csc(C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000092787378 1039590417 /nfs/dbraw/zinc/59/04/17/1039590417.db2.gz UUKNQKUUDNWRDT-OAHLLOKOSA-N 1 0 341.480 4.122 10 30 EIEERO CC(C)OC(=O)C[n+]1c(/C=C/c2ccccc2)sc2ccccc21 ZINC000048533168 563930614 /nfs/dbraw/zinc/93/06/14/563930614.db2.gz KIFXBIKYLWQMEJ-OUKQBFOZSA-N 1 0 338.452 4.311 10 30 EIEERO CCC[NH2+][C@H](C)c1cc(Br)ccc1O[C@H](C#N)CC ZINC000052067805 214114884 /nfs/dbraw/zinc/11/48/84/214114884.db2.gz UEDICIOMAGHEDG-YPMHNXCESA-N 1 0 325.250 4.191 10 30 EIEERO C=C(Br)COc1c(Cl)cc(Cl)cc1C[C@H](C)[NH3+] ZINC000037728818 213164170 /nfs/dbraw/zinc/16/41/70/213164170.db2.gz QJCZUMWZIOEQLZ-QMMMGPOBSA-N 1 0 339.060 4.171 10 30 EIEERO C[C@@H]1CCC[C@H](C)[N@H+]1CC#C[C@](O)(c1ccccc1)C1CCCC1 ZINC000230227475 564155175 /nfs/dbraw/zinc/15/51/75/564155175.db2.gz ATYQNPRNSQFWAE-JQVVWYNYSA-N 1 0 325.496 4.331 10 30 EIEERO Cc1nc(-c2cccc(NC(=O)C[N+](C)(C)C3CCCC3)c2)cs1 ZINC000029414333 717119005 /nfs/dbraw/zinc/11/90/05/717119005.db2.gz ZWNNNNSUNKODHI-UHFFFAOYSA-O 1 0 344.504 4.076 10 30 EIEERO C[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029414779 717119045 /nfs/dbraw/zinc/11/90/45/717119045.db2.gz ADFYCGGWOKUQIE-INIZCTEOSA-O 1 0 325.476 4.036 10 30 EIEERO CCNC(Nc1ccc(Sc2ccc(OC)cc2)cc1)=[NH+]CC ZINC000026001252 212504468 /nfs/dbraw/zinc/50/44/68/212504468.db2.gz IEGQNJNPMNUPTJ-UHFFFAOYSA-N 1 0 329.469 4.053 10 30 EIEERO C=CCC1(CC=C)CCC[N@H+]1Cc1nc(Cc2ccccc2F)no1 ZINC000012297841 211334740 /nfs/dbraw/zinc/33/47/40/211334740.db2.gz JLGRTBDXRKDEHV-UHFFFAOYSA-N 1 0 341.430 4.286 10 30 EIEERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N+](C)(C)C1CCCC1 ZINC000029415088 717119015 /nfs/dbraw/zinc/11/90/15/717119015.db2.gz VSZHIRZOFYWKND-NSHDSACASA-O 1 0 330.279 4.339 10 30 EIEERO O=C(C[n+]1ccc(-c2ccccc2Cl)nc1)c1ccc(Cl)cc1 ZINC000048523514 564129294 /nfs/dbraw/zinc/12/92/94/564129294.db2.gz AYNLRCYVSTYKMH-UHFFFAOYSA-N 1 0 344.221 4.226 10 30 EIEERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N+](C)(C)C1CCCC1 ZINC000029415554 717119377 /nfs/dbraw/zinc/11/93/77/717119377.db2.gz UDBGCFGXINOGDL-DLBZAZTESA-O 1 0 339.503 4.425 10 30 EIEERO CC(C)CCN(CCC(C)C)C(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000073713131 717134794 /nfs/dbraw/zinc/13/47/94/717134794.db2.gz VJSGRJSZLDBWHS-SFHVURJKSA-N 1 0 325.561 4.315 10 30 EIEERO C=CCc1cc(C[NH2+]CCc2ccccc2)cc(OC)c1OCC ZINC000013731170 211623459 /nfs/dbraw/zinc/62/34/59/211623459.db2.gz UUIHKOJTXSVCTL-UHFFFAOYSA-N 1 0 325.452 4.155 10 30 EIEERO C=CCOc1c(Cl)cc(C[NH2+]CCCOCCCC)cc1OC ZINC000013720017 564073981 /nfs/dbraw/zinc/07/39/81/564073981.db2.gz QORZNISBVNIBFS-UHFFFAOYSA-N 1 0 341.879 4.210 10 30 EIEERO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098542 564096005 /nfs/dbraw/zinc/09/60/05/564096005.db2.gz SKEYDULTDWUJFJ-HXUWFJFHSA-N 1 0 343.442 4.164 10 30 EIEERO CC[N+](C)(CC)CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002021147 717093624 /nfs/dbraw/zinc/09/36/24/717093624.db2.gz PBKKHBVUENMOFY-UHFFFAOYSA-N 1 0 327.473 4.302 10 30 EIEERO C[C@@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000111377434 717148029 /nfs/dbraw/zinc/14/80/29/717148029.db2.gz VDTJZKLZRJGBTA-SJORKVTESA-O 1 0 343.535 4.150 10 30 EIEERO C[N+](C)(CC(=O)Nc1ccccc1Oc1ccccc1)C1CCCC1 ZINC000007760663 717106108 /nfs/dbraw/zinc/10/61/08/717106108.db2.gz SUASIGAJZVMWLU-UHFFFAOYSA-O 1 0 339.459 4.436 10 30 EIEERO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N+](C)(C)C1CCCC1 ZINC000007760196 717106217 /nfs/dbraw/zinc/10/62/17/717106217.db2.gz WIBJEBBWLLQEIN-NSHDSACASA-O 1 0 330.279 4.339 10 30 EIEERO Fc1ccc(C(O/N=C2/C[NH+]3CCC2CC3)c2ccc(F)cc2)cc1 ZINC000004655676 210238163 /nfs/dbraw/zinc/23/81/63/210238163.db2.gz DWSFDXBXQWAKMY-NMWGTECJSA-N 1 0 342.389 4.152 10 30 EIEERO C=C(C[NH+](C)C)[C@@](Cc1ccccc1)(OC(=O)CC)c1ccccc1 ZINC000003623586 210068433 /nfs/dbraw/zinc/06/84/33/210068433.db2.gz QNYRJYLGBCLNFA-JOCHJYFZSA-N 1 0 337.463 4.196 10 30 in-man EIEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1nccc2ccccc21 ZINC000072470045 564063840 /nfs/dbraw/zinc/06/38/40/564063840.db2.gz JBZVODPBPLLMTI-HXUWFJFHSA-N 1 0 347.462 4.475 10 30 EIEERO C[C@@H](NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000111377430 717148031 /nfs/dbraw/zinc/14/80/31/717148031.db2.gz VDTJZKLZRJGBTA-IAGOWNOFSA-O 1 0 343.535 4.150 10 30 EIEERO CCC[NH2+][C@@H](C)c1cc(Br)ccc1O[C@@H](C#N)CC ZINC000052067806 214114476 /nfs/dbraw/zinc/11/44/76/214114476.db2.gz UEDICIOMAGHEDG-WCQYABFASA-N 1 0 325.250 4.191 10 30 EIEERO O=C(C[n+]1ccccc1-c1ccccn1)c1ccc2ccccc2c1 ZINC000048544903 564129337 /nfs/dbraw/zinc/12/93/37/564129337.db2.gz LACREISFSHGLCD-UHFFFAOYSA-N 1 0 325.391 4.072 10 30 EIEERO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415328 717119414 /nfs/dbraw/zinc/11/94/14/717119414.db2.gz BHGJEHOHMWLLPW-QZTJIDSGSA-O 1 0 345.551 4.470 10 30 EIEERO CCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)[N+](C)(C)C ZINC000725407856 717188808 /nfs/dbraw/zinc/18/88/08/717188808.db2.gz JYPXCWVRRNCRJV-SPMIMHQFSA-N 1 0 328.561 4.282 10 30 EIEERO C=C(C[NH+](C)C)[C@](Cc1ccccc1)(OC(=O)CC)c1ccccc1 ZINC000003623588 210069099 /nfs/dbraw/zinc/06/90/99/210069099.db2.gz QNYRJYLGBCLNFA-QFIPXVFZSA-N 1 0 337.463 4.196 10 30 in-man EIEERO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1nccc2ccccc21 ZINC000072470047 564063820 /nfs/dbraw/zinc/06/38/20/564063820.db2.gz JBZVODPBPLLMTI-FQEVSTJZSA-N 1 0 347.462 4.475 10 30 EIEERO C[C@@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029415557 717119516 /nfs/dbraw/zinc/11/95/16/717119516.db2.gz UDBGCFGXINOGDL-SJORKVTESA-O 1 0 339.503 4.425 10 30 EIEERO C[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc(Cl)cc1Cl ZINC000024156444 717113627 /nfs/dbraw/zinc/11/36/27/717113627.db2.gz KLSMZPCZIKYBHH-GFCCVEGCSA-O 1 0 344.306 4.190 10 30 EIEERO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N+](C)(C)C2CCCC2)cc1 ZINC000029414076 717118432 /nfs/dbraw/zinc/11/84/32/717118432.db2.gz IKJWNNXMIALCPD-QGZVFWFLSA-O 1 0 331.524 4.081 10 30 EIEERO Cc1csc(C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000092787377 1039592159 /nfs/dbraw/zinc/59/21/59/1039592159.db2.gz UUKNQKUUDNWRDT-HNNXBMFYSA-N 1 0 341.480 4.122 10 30 EIEERO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098544 564096011 /nfs/dbraw/zinc/09/60/11/564096011.db2.gz SKEYDULTDWUJFJ-FQEVSTJZSA-N 1 0 343.442 4.164 10 30 EIEERO C[C@@H](NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029415551 717119273 /nfs/dbraw/zinc/11/92/73/717119273.db2.gz UDBGCFGXINOGDL-IAGOWNOFSA-O 1 0 339.503 4.425 10 30 EIEERO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N+](C)(C)C1CCCC1 ZINC000029415091 717118974 /nfs/dbraw/zinc/11/89/74/717118974.db2.gz VSZHIRZOFYWKND-LLVKDONJSA-O 1 0 330.279 4.339 10 30 EIEERO C[C@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029415560 717119169 /nfs/dbraw/zinc/11/91/69/717119169.db2.gz UDBGCFGXINOGDL-IRXDYDNUSA-O 1 0 339.503 4.425 10 30 EIEERO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000015457944 717112406 /nfs/dbraw/zinc/11/24/06/717112406.db2.gz YIZQSYNPBSOBBT-ZDUSSCGKSA-O 1 0 339.887 4.003 10 30 EIEERO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000029415336 717119347 /nfs/dbraw/zinc/11/93/47/717119347.db2.gz BHGJEHOHMWLLPW-ROUUACIJSA-O 1 0 345.551 4.470 10 30 EIEERO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246208 1030782346 /nfs/dbraw/zinc/78/23/46/1030782346.db2.gz CQIJQKPSILPITR-AZUAARDMSA-N 1 0 345.531 4.159 10 30 EIEERO C[N+](C)(CC(=O)Nc1ccccc1Cc1ccccc1)C1CCCC1 ZINC000024156076 717113528 /nfs/dbraw/zinc/11/35/28/717113528.db2.gz QOJYUCUVJJCCDP-UHFFFAOYSA-O 1 0 337.487 4.235 10 30 EIEERO CC(C)Cc1ccc([C@H](C)NC(=O)C[N+](C)(C)C2CCCC2)cc1 ZINC000029414079 717118365 /nfs/dbraw/zinc/11/83/65/717118365.db2.gz IKJWNNXMIALCPD-KRWDZBQOSA-O 1 0 331.524 4.081 10 30 EIEERO CCN(C(=O)C[N+](C)(C)C1CCCC1)c1cccc2ccccc21 ZINC000029413613 717118480 /nfs/dbraw/zinc/11/84/80/717118480.db2.gz QXTAHJWKMIFJNB-UHFFFAOYSA-N 1 0 325.476 4.212 10 30 EIEERO CO/N=C/[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@@H+]2C ZINC000003945986 210094176 /nfs/dbraw/zinc/09/41/76/210094176.db2.gz NRLIFEGHTNUYFL-QJDHNRDASA-N 1 0 327.255 4.192 10 30 investigational EIEERO C=C(Br)COc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728819 213164470 /nfs/dbraw/zinc/16/44/70/213164470.db2.gz QJCZUMWZIOEQLZ-MRVPVSSYSA-N 1 0 339.060 4.171 10 30 EIEERO C[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccc2ccccc2c1 ZINC000029414143 717118451 /nfs/dbraw/zinc/11/84/51/717118451.db2.gz JMTLOUYIUPCDDO-INIZCTEOSA-O 1 0 325.476 4.036 10 30 EIEERO C=CCc1cc(C[NH2+]CCCOCCCC)cc(OC)c1OCC ZINC000013720219 211619822 /nfs/dbraw/zinc/61/98/22/211619822.db2.gz DGTKYPZMOONZQT-UHFFFAOYSA-N 1 0 335.488 4.119 10 30 EIEERO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N+](C)(C)C1CCCC1 ZINC000007760483 717106113 /nfs/dbraw/zinc/10/61/13/717106113.db2.gz LZCRYQFKTBWGNO-LLVKDONJSA-O 1 0 330.279 4.339 10 30 EIEERO CCCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116246212 1030781905 /nfs/dbraw/zinc/78/19/05/1030781905.db2.gz CQIJQKPSILPITR-ICSRJNTNSA-N 1 0 345.531 4.159 10 30 EIEERO C=CCN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1 ZINC000022924814 212336227 /nfs/dbraw/zinc/33/62/27/212336227.db2.gz IKFDBDJFYBCATB-UHFFFAOYSA-N 1 0 327.299 4.120 10 30 EIEERO C[N+](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCC1 ZINC000024155860 717113643 /nfs/dbraw/zinc/11/36/43/717113643.db2.gz OWLSQZTXXUNWMK-UHFFFAOYSA-O 1 0 349.804 4.316 10 30 EIEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000093818293 1039756084 /nfs/dbraw/zinc/75/60/84/1039756084.db2.gz ATFFVDWKUACLDP-QGZVFWFLSA-N 1 0 342.483 4.149 10 30 EIEERO CCSc1nc2c(c(-c3ccccc3Cl)c1C#N)C[N@H+](C)CC2 ZINC000040570041 213352646 /nfs/dbraw/zinc/35/26/46/213352646.db2.gz GTJNAHCOJXFADC-UHFFFAOYSA-N 1 0 343.883 4.374 10 30 EIEERO CCCCCCCCCCOC(=O)C[n+]1cn(C)c2ccccc21 ZINC000003181770 563475963 /nfs/dbraw/zinc/47/59/63/563475963.db2.gz AFHFGHMOTHTTQN-UHFFFAOYSA-N 1 0 331.480 4.150 10 30 EIEERO