smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)cc1 ZINC001476204306 1069641601 /nfs/dbraw/zinc/64/16/01/1069641601.db2.gz BYJCHPLVLYTXIT-UHFFFAOYSA-N 1 1 457.579 1.168 20 10 JDCDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001477567576 1069833824 /nfs/dbraw/zinc/83/38/24/1069833824.db2.gz DIXCNQLXHGVGNK-IBGZPJMESA-N 1 1 457.554 1.462 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2)cc1 ZINC001477653896 1069841306 /nfs/dbraw/zinc/84/13/06/1069841306.db2.gz SRYIOQCHLWISDU-UHFFFAOYSA-N 1 1 453.469 1.653 20 10 JDCDMO CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001503486710 1071802975 /nfs/dbraw/zinc/80/29/75/1071802975.db2.gz BCCKJPZQIUAKIT-WOJBJXKFSA-N 1 1 477.631 1.759 20 10 JDCDMO COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC001504903396 1071840414 /nfs/dbraw/zinc/84/04/14/1071840414.db2.gz JWEPKOOSTIMXSH-UHFFFAOYSA-N 1 1 499.660 1.442 20 10 JDCDMO Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952033 1067845907 /nfs/dbraw/zinc/84/59/07/1067845907.db2.gz TXJRBBIARUTQRT-INIZCTEOSA-N 1 1 452.964 1.687 20 10 JDCDMO CCN1CCN(c2ccc(CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cn2)CC1 ZINC001467604431 1068036599 /nfs/dbraw/zinc/03/65/99/1068036599.db2.gz RBTKXYXNEDVVCF-UHFFFAOYSA-N 1 1 451.619 1.975 20 10 JDCDMO COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)CC2)cc1 ZINC001467650397 1068045574 /nfs/dbraw/zinc/04/55/74/1068045574.db2.gz KQCMXPLQTXYLME-DUIUGDAFSA-N 1 1 456.587 1.612 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)CC2)cc1 ZINC001468354677 1068252034 /nfs/dbraw/zinc/25/20/34/1068252034.db2.gz QSPSXPLPXASWSG-NRFANRHFSA-N 1 1 458.607 1.605 20 10 JDCDMO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1CCOC ZINC001470753206 1068806711 /nfs/dbraw/zinc/80/67/11/1068806711.db2.gz LXKNNCXJEYWBAW-OAQYLSRUSA-N 1 1 452.621 1.564 20 10 JDCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001478944786 1070070036 /nfs/dbraw/zinc/07/00/36/1070070036.db2.gz IQYZUTRWWVKAEA-SFHVURJKSA-N 1 1 450.605 1.316 20 10 JDCDMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O ZINC001493845042 1070359762 /nfs/dbraw/zinc/35/97/62/1070359762.db2.gz JPHUXPACLKFKQX-XLIONFOSSA-N 1 1 478.619 1.437 20 10 JDCDMO CC(=O)N1CCN(C(=O)CCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC001464931421 1067704868 /nfs/dbraw/zinc/70/48/68/1067704868.db2.gz UNVRECDPRRSKPI-UHFFFAOYSA-N 1 1 453.587 1.605 20 10 JDCDMO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001509608588 1073732200 /nfs/dbraw/zinc/73/22/00/1073732200.db2.gz ZJJJOVIIVOQNIU-OYRHEFFESA-N 1 1 499.660 1.847 20 10 JDCDMO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001509608588 1073732219 /nfs/dbraw/zinc/73/22/19/1073732219.db2.gz ZJJJOVIIVOQNIU-OYRHEFFESA-N 1 1 499.660 1.847 20 10 JDCDMO CCc1nsc(N2CCN(C(=O)NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)CC2)n1 ZINC001477652773 1069840783 /nfs/dbraw/zinc/84/07/83/1069840783.db2.gz IITDVAAIQAEECA-UHFFFAOYSA-N 1 1 459.620 1.763 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC3CCC(S(C)(=O)=O)CC3)CC2)cc1 ZINC001477654368 1069841352 /nfs/dbraw/zinc/84/13/52/1069841352.db2.gz YUGJDGBSSNBZPX-UHFFFAOYSA-N 1 1 452.621 1.720 20 10 JDCDMO COc1ccc(N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC001504292046 1071018436 /nfs/dbraw/zinc/01/84/36/1071018436.db2.gz FUYCPWACYSSXAR-XMMPIXPASA-N 1 1 471.606 1.208 20 10 JDCDMO COc1ccc(N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC001504292044 1071019134 /nfs/dbraw/zinc/01/91/34/1071019134.db2.gz FUYCPWACYSSXAR-DEOSSOPVSA-N 1 1 471.606 1.208 20 10 JDCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001503361602 1071577907 /nfs/dbraw/zinc/57/79/07/1071577907.db2.gz XEDLEENEQAJGAY-HXUWFJFHSA-N 1 1 483.617 1.799 20 10 JDCDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 ZINC001468134993 1068174787 /nfs/dbraw/zinc/17/47/87/1068174787.db2.gz UOJYRNNAFIZDJM-UHFFFAOYSA-N 1 1 454.556 1.810 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)CC2)cc1 ZINC001468354716 1068251473 /nfs/dbraw/zinc/25/14/73/1068251473.db2.gz RWAPIXMHZPGYIH-QHCPKHFHSA-N 1 1 453.587 1.816 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)CC2)cc1 ZINC001468354715 1068251644 /nfs/dbraw/zinc/25/16/44/1068251644.db2.gz RWAPIXMHZPGYIH-HSZRJFAPSA-N 1 1 453.587 1.816 20 10 JDCDMO CC[N@@H+](CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)CCC(F)(F)F ZINC001469769605 1068585573 /nfs/dbraw/zinc/58/55/73/1068585573.db2.gz UXCOKWKZBOQVOA-UHFFFAOYSA-N 1 1 450.527 1.995 20 10 JDCDMO COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)cc1 ZINC001469900806 1068618350 /nfs/dbraw/zinc/61/83/50/1068618350.db2.gz RBBHETIRXDJMFY-OAQYLSRUSA-N 1 1 452.621 1.384 20 10 JDCDMO C[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H]1CO ZINC001473684152 1069208369 /nfs/dbraw/zinc/20/83/69/1069208369.db2.gz HFCMGJZYMRYBHJ-DNHMENHVSA-N 1 1 477.608 1.826 20 10 JDCDMO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)nc1)N1CCOCC1 ZINC001474399328 1069244638 /nfs/dbraw/zinc/24/46/38/1069244638.db2.gz RRZTZJKSLSQGAF-UHFFFAOYSA-N 1 1 452.964 1.784 20 10 JDCDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC001477567577 1069833916 /nfs/dbraw/zinc/83/39/16/1069833916.db2.gz DIXCNQLXHGVGNK-LJQANCHMSA-N 1 1 457.554 1.462 20 10 JDCDMO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)cc2)CC1 ZINC001478089890 1069896905 /nfs/dbraw/zinc/89/69/05/1069896905.db2.gz FENMHTTXSGTEOY-UHFFFAOYSA-N 1 1 458.651 1.864 20 10 JDCDMO COc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCOCC3)CC2)cc1F ZINC001504292114 1071018593 /nfs/dbraw/zinc/01/85/93/1071018593.db2.gz HAMWKOWNXXUVQN-UHFFFAOYSA-N 1 1 489.596 1.613 20 10 JDCDMO CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001503486708 1071803049 /nfs/dbraw/zinc/80/30/49/1071803049.db2.gz BCCKJPZQIUAKIT-UXHICEINSA-N 1 1 477.631 1.759 20 10 JDCDMO COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)CC1 ZINC001504924514 1071908949 /nfs/dbraw/zinc/90/89/49/1071908949.db2.gz YTYWUBRXLAPUKU-UHFFFAOYSA-N 1 1 455.607 1.592 20 10 JDCDMO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@H+]1CCOC ZINC001470753203 1068806667 /nfs/dbraw/zinc/80/66/67/1068806667.db2.gz LXKNNCXJEYWBAW-NRFANRHFSA-N 1 1 452.621 1.564 20 10 JDCDMO CC[N@@H+](CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[C@@H](C)CO ZINC001473498537 1069166726 /nfs/dbraw/zinc/16/67/26/1069166726.db2.gz QJUJGNNRSFQLGM-OLWAXZHHSA-N 1 1 451.570 1.435 20 10 JDCDMO C[C@@H]1CCC[N@@H+](CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)[C@@H]1CO ZINC001473684153 1069207873 /nfs/dbraw/zinc/20/78/73/1069207873.db2.gz HFCMGJZYMRYBHJ-ISXPBCBASA-N 1 1 477.608 1.826 20 10 JDCDMO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3n[nH]c(-c4ccncc4)n3)CC2)cc1 ZINC001477454658 1069825069 /nfs/dbraw/zinc/82/50/69/1069825069.db2.gz UIGIOBRORSZNHC-UHFFFAOYSA-N 1 1 450.547 1.887 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC001477653569 1069840876 /nfs/dbraw/zinc/84/08/76/1069840876.db2.gz QJPFAMVZZCAWLK-QHCPKHFHSA-N 1 1 458.559 1.867 20 10 JDCDMO CN1CCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)cc2)CC1 ZINC001477775511 1069856131 /nfs/dbraw/zinc/85/61/31/1069856131.db2.gz YBXXHOXAVRKXCR-UHFFFAOYSA-N 1 1 452.603 1.729 20 10 JDCDMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001502343963 1070247840 /nfs/dbraw/zinc/24/78/40/1070247840.db2.gz XAVMEZCJWBGOTQ-ICSRJNTNSA-N 1 1 455.607 1.845 20 10 JDCDMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001502343961 1070249438 /nfs/dbraw/zinc/24/94/38/1070249438.db2.gz XAVMEZCJWBGOTQ-AZUAARDMSA-N 1 1 455.607 1.845 20 10 JDCDMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O ZINC001493845040 1070359607 /nfs/dbraw/zinc/35/96/07/1070359607.db2.gz JPHUXPACLKFKQX-PXNSSMCTSA-N 1 1 478.619 1.437 20 10 JDCDMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 ZINC001503215383 1071163281 /nfs/dbraw/zinc/16/32/81/1071163281.db2.gz DOBJSUVOCSQLNK-UHFFFAOYSA-N 1 1 457.623 1.998 20 10 JDCDMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001503215733 1071164372 /nfs/dbraw/zinc/16/43/72/1071164372.db2.gz ICSUXFZDWHMDHZ-UHFFFAOYSA-N 1 1 485.633 1.460 20 10 JDCDMO COCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CC1 ZINC001504906778 1071851539 /nfs/dbraw/zinc/85/15/39/1071851539.db2.gz PMDCSAJWHDGLBJ-UHFFFAOYSA-N 1 1 465.649 1.921 20 10 JDCDMO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H](CN4CCOCC4)C3)CC2)cc1 ZINC001467987592 1068131703 /nfs/dbraw/zinc/13/17/03/1068131703.db2.gz YJEBEYVFJCBTBH-JOCHJYFZSA-N 1 1 459.635 1.961 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)CC2)cc1 ZINC001468354226 1068250311 /nfs/dbraw/zinc/25/03/11/1068250311.db2.gz JDAQBJZHXQNEQJ-FYYLOGMGSA-N 1 1 456.591 1.848 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)CC2)cc1 ZINC001468354233 1068250698 /nfs/dbraw/zinc/25/06/98/1068250698.db2.gz JDAQBJZHXQNEQJ-JTHBVZDNSA-N 1 1 456.591 1.848 20 10 JDCDMO COc1ccc(N2CC[C@H](CNC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC001477436488 1069824280 /nfs/dbraw/zinc/82/42/80/1069824280.db2.gz QLQJDRXVRTYEBH-HXUWFJFHSA-N 1 1 453.591 1.823 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC001477653568 1069840949 /nfs/dbraw/zinc/84/09/49/1069840949.db2.gz QJPFAMVZZCAWLK-HSZRJFAPSA-N 1 1 458.559 1.867 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(CN4CCOCC4)n3)CC2)cc1 ZINC001467124053 1067971727 /nfs/dbraw/zinc/97/17/27/1067971727.db2.gz VACXZBXBUFRUEY-UHFFFAOYSA-N 1 1 454.575 1.866 20 10 JDCDMO COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)cc1 ZINC001469900805 1068618550 /nfs/dbraw/zinc/61/85/50/1068618550.db2.gz RBBHETIRXDJMFY-NRFANRHFSA-N 1 1 452.621 1.384 20 10 JDCDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC001470905431 1068821725 /nfs/dbraw/zinc/82/17/25/1068821725.db2.gz NQLTXTHGLMOKDM-UHFFFAOYSA-N 1 1 457.619 1.733 20 10 JDCDMO C[N@@H+](CCO)CCNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC001471868400 1068921713 /nfs/dbraw/zinc/92/17/13/1068921713.db2.gz YFHKDTRTWMYCDM-GXDHUFHOSA-N 1 1 458.403 1.691 20 10 JDCDMO C[N@@H+](CCO)CCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC001471868401 1068922042 /nfs/dbraw/zinc/92/20/42/1068922042.db2.gz YFHKDTRTWMYCDM-UVTDQMKNSA-N 1 1 458.403 1.691 20 10 JDCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001473414899 1069143441 /nfs/dbraw/zinc/14/34/41/1069143441.db2.gz IVTKUNBLOPNJML-HSZRJFAPSA-N 1 1 451.539 1.570 20 10 JDCDMO CC[N@@H+](CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)[C@@H](C)CO ZINC001473498538 1069167465 /nfs/dbraw/zinc/16/74/65/1069167465.db2.gz QJUJGNNRSFQLGM-YRUBURHZSA-N 1 1 451.570 1.435 20 10 JDCDMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509594543 1073721560 /nfs/dbraw/zinc/72/15/60/1073721560.db2.gz LXNOGJYPVUHPDS-XMMPIXPASA-N 1 1 455.607 1.720 20 10 JDCDMO COc1ccc(N2CC[C@@H](CNC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C2)cc1 ZINC001477436486 1069824259 /nfs/dbraw/zinc/82/42/59/1069824259.db2.gz QLQJDRXVRTYEBH-FQEVSTJZSA-N 1 1 453.591 1.823 20 10 JDCDMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001502343964 1070248240 /nfs/dbraw/zinc/24/82/40/1070248240.db2.gz XAVMEZCJWBGOTQ-QUCCMNQESA-N 1 1 455.607 1.845 20 10 JDCDMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O ZINC001493845044 1070359278 /nfs/dbraw/zinc/35/92/78/1070359278.db2.gz JPHUXPACLKFKQX-YLJYHZDGSA-N 1 1 478.619 1.437 20 10 JDCDMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O ZINC001493845038 1070358247 /nfs/dbraw/zinc/35/82/47/1070358247.db2.gz JPHUXPACLKFKQX-FXAWDEMLSA-N 1 1 478.619 1.437 20 10 JDCDMO CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001503486707 1071802888 /nfs/dbraw/zinc/80/28/88/1071802888.db2.gz BCCKJPZQIUAKIT-PMACEKPBSA-N 1 1 477.631 1.759 20 10 JDCDMO COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)CC2)cc1 ZINC001467650394 1068045233 /nfs/dbraw/zinc/04/52/33/1068045233.db2.gz KQCMXPLQTXYLME-AQWUKCDYSA-N 1 1 456.587 1.612 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)CC2)cc1 ZINC001468354228 1068250377 /nfs/dbraw/zinc/25/03/77/1068250377.db2.gz JDAQBJZHXQNEQJ-GGAORHGYSA-N 1 1 456.591 1.848 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCN4C(=O)N(CC(C)C)C[C@H]4C3)CC2)cc1 ZINC001468354678 1068251245 /nfs/dbraw/zinc/25/12/45/1068251245.db2.gz QSPSXPLPXASWSG-OAQYLSRUSA-N 1 1 458.607 1.605 20 10 JDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3nn(C)cc3Br)CC2)cc1 ZINC001468354238 1068251539 /nfs/dbraw/zinc/25/15/39/1068251539.db2.gz JDNQOGPJNWXQRQ-UHFFFAOYSA-N 1 1 451.369 1.813 20 10 JDCDMO CCN1CC[NH+](CC(C)(C)NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001470754154 1068806937 /nfs/dbraw/zinc/80/69/37/1068806937.db2.gz QIBZLUYJWFHKGF-UHFFFAOYSA-N 1 1 451.637 1.137 20 10 JDCDMO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001474618430 1069248140 /nfs/dbraw/zinc/24/81/40/1069248140.db2.gz XSULFHCGNPFEOH-UHFFFAOYSA-N 1 1 452.508 1.984 20 10 JDCDMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509594540 1073721711 /nfs/dbraw/zinc/72/17/11/1073721711.db2.gz LXNOGJYPVUHPDS-DEOSSOPVSA-N 1 1 455.607 1.720 20 10 JDCDMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001502343965 1070248770 /nfs/dbraw/zinc/24/87/70/1070248770.db2.gz XAVMEZCJWBGOTQ-UYAOXDASSA-N 1 1 455.607 1.845 20 10 JDCDMO 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