smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2nnc(-n3cccc3CN3CCN(c4ccccn4)CC3)s2)CC1 ZINC000021880885 521701679 /nfs/dbraw/zinc/70/16/79/521701679.db2.gz ZVWWLVQOYRZBHF-UHFFFAOYSA-N 1 1 438.605 2.188 10 0 IEAEMO Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@@H](C)c1ccccc1 ZINC000046140940 556692071 /nfs/dbraw/zinc/69/20/71/556692071.db2.gz XRLUNAPXQRNDEI-HXUWFJFHSA-N 1 1 429.586 2.476 10 0 IEAEMO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c(O)c2c1 ZINC000008602314 562955808 /nfs/dbraw/zinc/95/58/08/562955808.db2.gz SDBYNBLYTKDRRD-INIZCTEOSA-N 1 1 448.589 2.163 10 0 IEAEMO NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000020212396 526913514 /nfs/dbraw/zinc/91/35/14/526913514.db2.gz QSIWRUDTOYZNDB-KRWDZBQOSA-N 1 1 448.523 2.497 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020821330 524008537 /nfs/dbraw/zinc/00/85/37/524008537.db2.gz FPHBIIJOQDVLKY-NRFANRHFSA-N 1 1 448.633 2.469 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020821330 524008540 /nfs/dbraw/zinc/00/85/40/524008540.db2.gz FPHBIIJOQDVLKY-NRFANRHFSA-N 1 1 448.633 2.469 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020821330 524008541 /nfs/dbraw/zinc/00/85/41/524008541.db2.gz FPHBIIJOQDVLKY-NRFANRHFSA-N 1 1 448.633 2.469 10 0 IEAEMO CNc1c(N)c[nH+]c2cc(I)cc(I)c21 ZINC000584882304 557194266 /nfs/dbraw/zinc/19/42/66/557194266.db2.gz AWKPZYLHLFLYKZ-UHFFFAOYSA-N 1 1 425.011 2.490 10 0 IEAEMO COC(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC000055357768 563142560 /nfs/dbraw/zinc/14/25/60/563142560.db2.gz QXAUWRYEKXQCBX-HXUWFJFHSA-N 1 1 426.492 2.434 10 0 IEAEMO CC[NH+](Cc1ccncc1)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+]2CCCN(C)CC2)c1 ZINC000039500077 569481624 /nfs/dbraw/zinc/48/16/24/569481624.db2.gz PCBXPYROGDMXCO-QHCPKHFHSA-N 1 1 442.604 2.490 10 0 IEAEMO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2)n1 ZINC000065001745 556830357 /nfs/dbraw/zinc/83/03/57/556830357.db2.gz RDLSEPXUMJKZJV-UHFFFAOYSA-N 1 1 436.604 2.326 10 0 IEAEMO Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000070021181 569528813 /nfs/dbraw/zinc/52/88/13/569528813.db2.gz VQWJMFCSBOAHFL-HXUWFJFHSA-N 1 1 432.528 2.438 10 0 IEAEMO CN(CC[N@H+]1CCc2ccccc2C1)C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000012430752 522839149 /nfs/dbraw/zinc/83/91/49/522839149.db2.gz GXSCVWDRIRELCN-HJKZNEBBSA-N 1 1 446.595 2.407 10 0 IEAEMO COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CC[NH+](C)CC3)n2)cc1 ZINC000036058244 523922870 /nfs/dbraw/zinc/92/28/70/523922870.db2.gz ZEBKPVVNWZQJBM-UHFFFAOYSA-N 1 1 445.589 2.043 10 0 IEAEMO COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](OC)[C@@H](OC(C)=O)C3 ZINC000096023774 557294187 /nfs/dbraw/zinc/29/41/87/557294187.db2.gz SCWUZSBREAMJGL-GMNINMNUSA-N 1 1 433.501 2.184 10 0 biogenic IEAEMO O=C(NCCC[NH+]1CCOCC1)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000065079954 569101229 /nfs/dbraw/zinc/10/12/29/569101229.db2.gz MKIKHHVSFKBXEX-UHFFFAOYSA-N 1 1 426.517 2.420 10 0 IEAEMO NC(=O)Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c2ccccc21 ZINC000020212402 569356384 /nfs/dbraw/zinc/35/63/84/569356384.db2.gz QSIWRUDTOYZNDB-QGZVFWFLSA-N 1 1 448.523 2.497 10 0 IEAEMO CN(CC[N@H+]1CCc2ccccc2C1)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000012430753 522839350 /nfs/dbraw/zinc/83/93/50/522839350.db2.gz GXSCVWDRIRELCN-CZNRWDAFSA-N 1 1 446.595 2.407 10 0 IEAEMO Cc1cccc(-c2ncc(C[N@@H+]3C[C@H](O)[C@@H](N4CCN(c5ccccn5)CC4)C3)cn2)c1 ZINC000019770928 556912778 /nfs/dbraw/zinc/91/27/78/556912778.db2.gz QPDITPMWPJINES-GOTSBHOMSA-N 1 1 430.556 2.214 10 0 IEAEMO Cc1cccc(-c2ncc(C[N@H+]3C[C@H](O)[C@@H](N4CCN(c5ccccn5)CC4)C3)cn2)c1 ZINC000019770928 556912783 /nfs/dbraw/zinc/91/27/83/556912783.db2.gz QPDITPMWPJINES-GOTSBHOMSA-N 1 1 430.556 2.214 10 0 IEAEMO CN(C[C@H]1COCCO1)C(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000019791271 569329261 /nfs/dbraw/zinc/32/92/61/569329261.db2.gz WCNAILMBDUFBEM-QHCPKHFHSA-N 1 1 431.577 2.111 10 0 IEAEMO COCCN1CCN(Cc2ccc(OC)cc2OC[C@@H](O)C[NH+]2CCCCCCC2)CC1 ZINC000020781411 523856393 /nfs/dbraw/zinc/85/63/93/523856393.db2.gz KQFNPBFPLZMHCU-QHCPKHFHSA-N 1 1 449.636 2.465 10 0 IEAEMO NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)cn2)CC1 ZINC000035425355 526857553 /nfs/dbraw/zinc/85/75/53/526857553.db2.gz XGCAHELCRIVOHC-SFHVURJKSA-N 1 1 426.521 2.149 10 0 IEAEMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)Cc2cccs2)CC3)CC1 ZINC000034676934 555795116 /nfs/dbraw/zinc/79/51/16/555795116.db2.gz SMSFMJVILAEOMW-UHFFFAOYSA-N 1 1 426.590 2.018 10 0 IEAEMO CC(C)C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000011872240 556368987 /nfs/dbraw/zinc/36/89/87/556368987.db2.gz HEJBOHCOBSLSFZ-LEWJYISDSA-N 1 1 431.577 2.490 10 0 IEAEMO CC[NH+](Cc1ccncc1)Cc1ccc(OC)c(OC[C@H](O)C[N@H+]2CCCN(C)CC2)c1 ZINC000039500076 569481653 /nfs/dbraw/zinc/48/16/53/569481653.db2.gz PCBXPYROGDMXCO-HSZRJFAPSA-N 1 1 442.604 2.490 10 0 IEAEMO NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c2nc[nH+]c3N[C@H]2CCc3ccccc32)C[C@H]1O ZINC000065747838 563156811 /nfs/dbraw/zinc/15/68/11/563156811.db2.gz MPUQHZXIXSTTDU-QGWWYQLQSA-N 1 1 443.529 2.063 10 0 investigational IEAEMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000035537173 524101381 /nfs/dbraw/zinc/10/13/81/524101381.db2.gz VBYVKIJCUKLWKY-QGZVFWFLSA-N 1 1 449.983 2.397 10 0 IEAEMO Cc1c[nH]c(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)n1 ZINC000012446298 526000145 /nfs/dbraw/zinc/00/01/45/526000145.db2.gz NFBMBDHBEYVPMQ-HSZRJFAPSA-N 1 1 445.567 2.399 10 0 IEAEMO COc1cccc2c1cc1c(=O)n(CC(=O)NCC[N@@H+](C)C3CCCCC3)nc(C)n12 ZINC000006749787 557127014 /nfs/dbraw/zinc/12/70/14/557127014.db2.gz VHQOOEDKQIZAGL-UHFFFAOYSA-N 1 1 425.533 2.347 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020821336 524008139 /nfs/dbraw/zinc/00/81/39/524008139.db2.gz FPHBIIJOQDVLKY-OAQYLSRUSA-N 1 1 448.633 2.469 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020821336 524008143 /nfs/dbraw/zinc/00/81/43/524008143.db2.gz FPHBIIJOQDVLKY-OAQYLSRUSA-N 1 1 448.633 2.469 10 0 IEAEMO COc1ccc(CN(C)Cc2csc(C)n2)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020821336 524008150 /nfs/dbraw/zinc/00/81/50/524008150.db2.gz FPHBIIJOQDVLKY-OAQYLSRUSA-N 1 1 448.633 2.469 10 0 IEAEMO COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)cc1 ZINC000035442472 524037583 /nfs/dbraw/zinc/03/75/83/524037583.db2.gz UXWYYURZKMFVAK-FJIJXJHWSA-N 1 1 436.556 2.487 10 0 IEAEMO Cc1c[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)n1 ZINC000012446295 525999964 /nfs/dbraw/zinc/99/99/64/525999964.db2.gz NFBMBDHBEYVPMQ-QHCPKHFHSA-N 1 1 445.567 2.399 10 0 IEAEMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014744881 556440303 /nfs/dbraw/zinc/44/03/03/556440303.db2.gz WWJJFBXYQFCIOL-VQTJNVASSA-N 1 1 435.528 2.386 10 0 IEAEMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014744881 556440307 /nfs/dbraw/zinc/44/03/07/556440307.db2.gz WWJJFBXYQFCIOL-VQTJNVASSA-N 1 1 435.528 2.386 10 0 IEAEMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014744881 556440311 /nfs/dbraw/zinc/44/03/11/556440311.db2.gz WWJJFBXYQFCIOL-VQTJNVASSA-N 1 1 435.528 2.386 10 0 IEAEMO O=C(c1cccc(Cl)c1)N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000046140930 556691705 /nfs/dbraw/zinc/69/17/05/556691705.db2.gz CCYXXGWOQACGNG-UHFFFAOYSA-N 1 1 439.940 2.357 10 0 IEAEMO CCN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000020242883 563024240 /nfs/dbraw/zinc/02/42/40/563024240.db2.gz CTHMMJGYXMGVEX-HKBQPEDESA-N 1 1 441.553 2.286 10 0 IEAEMO COC(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC000055357767 563142593 /nfs/dbraw/zinc/14/25/93/563142593.db2.gz QXAUWRYEKXQCBX-FQEVSTJZSA-N 1 1 426.492 2.434 10 0 IEAEMO Cn1c2ccccc2nc(N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1=O ZINC000064873846 568978647 /nfs/dbraw/zinc/97/86/47/568978647.db2.gz RXHBOILJFKDDBV-UHFFFAOYSA-N 1 1 433.556 2.398 10 0 IEAEMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000035537177 526247782 /nfs/dbraw/zinc/24/77/82/526247782.db2.gz VBYVKIJCUKLWKY-KRWDZBQOSA-N 1 1 449.983 2.397 10 0 IEAEMO O=C(Cc1ccccc1)N1CCN(c2nc(C[N@@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926464 527278924 /nfs/dbraw/zinc/27/89/24/527278924.db2.gz NJMWKIGMANDYMK-UHFFFAOYSA-N 1 1 443.551 2.220 10 0 IEAEMO O=C(Cc1ccccc1)N1CCN(c2nc(C[N@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926464 527278934 /nfs/dbraw/zinc/27/89/34/527278934.db2.gz NJMWKIGMANDYMK-UHFFFAOYSA-N 1 1 443.551 2.220 10 0 IEAEMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000004097900 560195108 /nfs/dbraw/zinc/19/51/08/560195108.db2.gz QIZNWMMOECVGAP-GHTUMPRVSA-N 1 1 428.485 2.080 10 0 in-vitro IEAEMO CCCC(=O)Nc1ccc(-n2cccc(C(=O)NCCC[NH+]3CCOCC3)c2=O)cc1 ZINC000035527197 519877391 /nfs/dbraw/zinc/87/73/91/519877391.db2.gz IXPNYHRANSOPKH-UHFFFAOYSA-N 1 1 426.517 2.028 10 0 IEAEMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1 ZINC000014881839 522397842 /nfs/dbraw/zinc/39/78/42/522397842.db2.gz ZUROIWUAURGSPZ-UHFFFAOYSA-N 1 1 439.491 2.423 10 0 IEAEMO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000035459658 526548061 /nfs/dbraw/zinc/54/80/61/526548061.db2.gz XALOJIBYQCVXFY-INIZCTEOSA-N 1 1 440.610 2.320 10 0 IEAEMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1 ZINC000035513307 527669942 /nfs/dbraw/zinc/66/99/42/527669942.db2.gz NRWSFHJPFHUSLK-UHFFFAOYSA-N 1 1 427.524 2.338 10 0 IEAEMO CCN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000020242885 563024255 /nfs/dbraw/zinc/02/42/55/563024255.db2.gz CTHMMJGYXMGVEX-WJOKGBTCSA-N 1 1 441.553 2.286 10 0 IEAEMO COC(=O)c1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OC(C)C)cc(=O)n3CC2)cc1 ZINC000020210965 569356197 /nfs/dbraw/zinc/35/61/97/569356197.db2.gz GRXWNMGJVNQRRJ-UHFFFAOYSA-N 1 1 428.485 2.267 10 0 IEAEMO COC(=O)c1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OC(C)C)cc(=O)n3CC2)cc1 ZINC000020210965 569356199 /nfs/dbraw/zinc/35/61/99/569356199.db2.gz GRXWNMGJVNQRRJ-UHFFFAOYSA-N 1 1 428.485 2.267 10 0 IEAEMO Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000070021178 569528834 /nfs/dbraw/zinc/52/88/34/569528834.db2.gz VQWJMFCSBOAHFL-FQEVSTJZSA-N 1 1 432.528 2.438 10 0 IEAEMO O=C(c1nn(Cc2ccccn2)c2c1C[N@H+](C1Cc3ccccc3C1)CC2)N1CCOCC1 ZINC000020601449 526927136 /nfs/dbraw/zinc/92/71/36/526927136.db2.gz HTPXRFQTLCCYDC-UHFFFAOYSA-N 1 1 443.551 2.324 10 0 IEAEMO Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[C@H](C)c1ccccc1 ZINC000046140941 556692236 /nfs/dbraw/zinc/69/22/36/556692236.db2.gz XRLUNAPXQRNDEI-FQEVSTJZSA-N 1 1 429.586 2.476 10 0 IEAEMO COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](OC(C)=O)C3 ZINC000238751968 569188726 /nfs/dbraw/zinc/18/87/26/569188726.db2.gz SCWUZSBREAMJGL-XYNXPQAZSA-N 1 1 433.501 2.184 10 0 IEAEMO CN(C[C@@H]1COCCO1)C(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000019791270 569329224 /nfs/dbraw/zinc/32/92/24/569329224.db2.gz WCNAILMBDUFBEM-HSZRJFAPSA-N 1 1 431.577 2.111 10 0 IEAEMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000013383244 291333318 /nfs/dbraw/zinc/33/33/18/291333318.db2.gz QIZNWMMOECVGAP-XRWSZIPKSA-N 1 1 428.485 2.080 10 0 biogenic IEAEMO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000035459662 526547785 /nfs/dbraw/zinc/54/77/85/526547785.db2.gz XALOJIBYQCVXFY-MRXNPFEDSA-N 1 1 440.610 2.320 10 0 IEAEMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1)c1ccccc1 ZINC000046140946 556692137 /nfs/dbraw/zinc/69/21/37/556692137.db2.gz QPEGJDFMSNDADN-SFHVURJKSA-N 1 1 435.615 2.158 10 0 IEAEMO C[C@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1)c1ccccc1 ZINC000046140947 556692159 /nfs/dbraw/zinc/69/21/59/556692159.db2.gz QPEGJDFMSNDADN-GOSISDBHSA-N 1 1 435.615 2.158 10 0 IEAEMO COCCN1CCN(Cc2ccc(OC)cc2OC[C@H](O)C[NH+]2CCCCCCC2)CC1 ZINC000020781415 523855654 /nfs/dbraw/zinc/85/56/54/523855654.db2.gz KQFNPBFPLZMHCU-HSZRJFAPSA-N 1 1 449.636 2.465 10 0 IEAEMO Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000014957634 557221598 /nfs/dbraw/zinc/22/15/98/557221598.db2.gz RWFHORJSZXTMOC-QHCPKHFHSA-N 1 1 447.539 2.359 10 0 IEAEMO Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000014957634 557221604 /nfs/dbraw/zinc/22/16/04/557221604.db2.gz RWFHORJSZXTMOC-QHCPKHFHSA-N 1 1 447.539 2.359 10 0 IEAEMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000014957641 557221634 /nfs/dbraw/zinc/22/16/34/557221634.db2.gz RWFHORJSZXTMOC-HSZRJFAPSA-N 1 1 447.539 2.359 10 0 IEAEMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000014957641 557221637 /nfs/dbraw/zinc/22/16/37/557221637.db2.gz RWFHORJSZXTMOC-HSZRJFAPSA-N 1 1 447.539 2.359 10 0 IEAEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC ZINC000026379848 563031379 /nfs/dbraw/zinc/03/13/79/563031379.db2.gz BKJGKGPGPACEQW-JTQLQIEISA-N 1 1 434.274 2.228 10 0 IEAEMO COc1c(C)cnc(CN2CC(=O)N(CC[NH+]3CCCC3)c3c(Cl)nc(N)nc32)c1C ZINC000043009657 563116341 /nfs/dbraw/zinc/11/63/41/563116341.db2.gz WEMJPGUSIFGFEO-UHFFFAOYSA-N 1 1 445.955 2.182 10 0 IEAEMO