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251 SMILES Strings for MKP-3

Compound NameSMILES String
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM22774 O=C1C=CC(=O)C=C1 |c:2,6|
BDBM22851 O=C1C=Cc2ccccc2C1=O |c:2|
BDBM24776 O=C1C=CC(=O)c2ccccc12 |c:2|
BDBM24777 Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
BDBM24778 CC1=CC(=O)c2ccccc2C1=O |t:1|
BDBM29615 COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
BDBM31760 Cc1ccc(O)c2NC(C3CC=CC3c12)C(O)=O |c:11|
BDBM31761 OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
BDBM31723 OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|
BDBM31724 COc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:10|
BDBM31725 OC(=O)C1Nc2ccccc2C2C=CCC12 |c:13|
BDBM31726 Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O
BDBM31762 OC(=O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12 |c:20|
BDBM31763 OC(=O)C1Nc2c(F)cccc2C2C=CCC12 |c:14|
BDBM31764 CCCCCc1nnc(NC(=O)Cc2cccs2)s1
BDBM31727 Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|
BDBM31765 Cc1cc(NC(=O)Cc2cccs2)no1
BDBM31728 OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
BDBM31729 OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
BDBM31730 OC(=O)C1Nc2c(cccc2C(=O)Oc2ccc(cc2)-c2ccccc2)C2C=CCC12 |c:30|
BDBM31731 OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
BDBM31732 OC(=O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:17|
BDBM31733 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
BDBM31734 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
BDBM31735 Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
BDBM31736 [O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
BDBM31737 Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
BDBM31738 Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C
BDBM31739 Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C
BDBM31740 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|
BDBM31741 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
BDBM31742 CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
BDBM31743 CCOC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:23|
BDBM31744 OC(=O)C1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2C2C=CCC12 |c:25|
BDBM31745 COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|
BDBM31748 OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
BDBM31698 CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
BDBM31700 COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
BDBM31703 Cc1ccc(C)n1-c1cccc(c1)C(O)=O
BDBM31704 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
BDBM31746 OC(=O)C1Nc2c(Cl)cc(Cl)c(Cl)c2C2C=CCC12 |c:16|
BDBM31747 NC(=O)c1cccc2C3C=CCC3C(Nc12)C(O)=O |c:9|
BDBM31749 Cc1ccc2c(NC(NS2(=O)=O)C(O)=O)c1
BDBM31750 CSc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM31751 Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM31752 CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
BDBM31753 Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:16.18|
BDBM31754 O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
BDBM31755 C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
BDBM31883 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM31722 O=C1C(Cc2ccccc12)Sc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM31756 Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
BDBM31757 OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
BDBM31758 Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
BDBM31759 OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
BDBM30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
BDBM30768 COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
BDBM31020 Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
BDBM31040 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
BDBM31042 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
BDBM31044 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
BDBM33046 Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
BDBM33055 O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33065 CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM34287 CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12
BDBM34176 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
BDBM34230 CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
BDBM34235 CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
BDBM32096 Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
BDBM32097 Nc1cccc2cnccc12
BDBM32098 Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
BDBM34185 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1
BDBM34209 Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C
BDBM34170 CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
BDBM34163 Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
BDBM34182 O=c1[nH]c(Nc2ccccc2)cc2ccccc12
BDBM32133 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|
BDBM32004 O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
BDBM32047 Nc1ccc2ncccc2c1N
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM32025 O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
BDBM32061 Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
BDBM32062 CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
BDBM32066 O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1n[nH]c(=O)c2ccccc12
BDBM32085 OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
BDBM32102 Cn1ncnc2c1nc(=O)n(C)c2=O
BDBM32030 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
BDBM34390 COC(=O)N(c1ccc(OC)cc1)P1(=S)OCCC(C)O1
BDBM34452 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
BDBM34527 COc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2c3ccccc3[nH]c2c1=O
BDBM34592 CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21
BDBM34408 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
BDBM35401 OC1C(Sc2ccccc2NC1=O)c1ccccc1
BDBM35434 [O-]\[N+](=C/c1ccncc1)c1ccc(Br)cc1
BDBM35435 Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
BDBM35354 CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
BDBM35355 O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM35356 COc1ccc(c(OC)c1)-n1nnnc1SCC(=O)Nc1ccc2OCCOc2c1
BDBM35366 COC(=O)CCCc1nc2ccccc2s1
BDBM35367 Cc1cc2NC(Nc3ccccc3)Sn2n1
BDBM35368 CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
BDBM35369 CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
BDBM35370 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)c(Cl)c1)C(C)=O |c:4|
BDBM35436 [O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1
BDBM35437 COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1
BDBM35438 CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O |c:8,t:11|
BDBM35358 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
BDBM35359 CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM35371 Nc1c(cc(Cl)c2nonc12)N1CCCC1
BDBM35439 O=C(N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1
BDBM35440 O=c1[nH]cnc2n[nH]cc12
BDBM35372 Cc1cc(C)n2c(SCC(=O)N3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)nnc2n1
BDBM35373 CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
BDBM35374 O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C#N)c1nc2ccccc2[nH]1
BDBM35375 CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O
BDBM35376 Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)c1ccc2OCC(=O)Nc2c1
BDBM35378 Cc1ccc(NC(=O)COC(=O)c2ccc3N4CCCC4C(=O)Nc3c2)cc1C
BDBM35379 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
BDBM35377 Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
BDBM35380 [O-]\[N+](=C/c1ccncc1)c1ccccc1
BDBM35381 Cc1cccc(N2CCN(CC2)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)c1C
BDBM35382 Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)NC1CCCC1
BDBM35362 Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
BDBM35363 CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
BDBM35364 COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
BDBM35365 CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12
BDBM35383 Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)nc2c3ccccc3oc(=O)c12
BDBM35384 CCCCCC1CCC(CC1)C(O)=O |(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;5.75,-1.63,;5.75,-.09,;7.08,.68,;7.08,2.22,;5.75,2.99,;4.41,2.22,;4.41,.68,;5.75,4.53,;7.08,5.3,;4.41,5.3,)|
BDBM35385 Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)c1C
BDBM35386 CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
BDBM35387 Clc1ccc2c(c1)nc1c(cccn1c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM35388 [O-]\[N+](=C\c1ccc(F)cc1)c1ccccc1
BDBM35389 Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC1CC1
BDBM35390 CC(C(=O)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
BDBM35391 CCOC(=O)N1CCC(CC1)NC(=O)c1cccn2c1nc1ccc(Br)cc1c2=O
BDBM35392 O=c1n(Cc2ccccc2)c(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2[nH]cccc12
BDBM35393 CCOc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
BDBM35394 Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCC1=CCCCC1 |t:19|
BDBM35395 COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
BDBM35396 O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)N1CCCc2ccccc12
BDBM35397 CC1CCN(CC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NC3CCCC3)c(=O)c2c1
BDBM35398 CCOC(=O)c1ccc(Nc2n(Cc3ccc(F)cc3)c(=O)c3ccc[nH]c23)cc1
BDBM35399 [H]C12CC(C)(Oc3ccccc13)N(C(=O)N2)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1 |TLB:16:12:2:5.11.6,THB:10:11:2:12.15.13|
BDBM35400 CCCSc1nnc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)s1
BDBM35421 CC(NC(=O)c1ccc2OCOc2c1)C1CCCO1
BDBM35422 CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
BDBM35402 FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
BDBM35403 COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
BDBM35404 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1
BDBM35405 CC1CCCCC1NC(=O)CCn1c2ccccc2oc1=O
BDBM35406 O=c1n(Cc2ccco2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
BDBM35407 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
BDBM35408 CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
BDBM35409 O=C(N1CCN(CC1)C1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O
BDBM35410 CCn1c2ccccc2c(SCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
BDBM35411 COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1
BDBM35412 Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NCCC(=O)NCCC1=CCCCC1 |t:27|
BDBM35413 Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
BDBM35414 CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
BDBM35415 Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
BDBM35416 COc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
BDBM35417 O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
BDBM35418 Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
BDBM35419 CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
BDBM35420 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3CCCc3c2c(=O)n1C
BDBM35423 COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C
BDBM35424 Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
BDBM35425 COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |c:6,8|
BDBM35426 CCOc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
BDBM35427 CC(CNS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1
BDBM35429 Cc1nn2c(nnc2c2ccccc12)-c1cccc(NC(=O)c2ccco2)c1
BDBM35430 CCOc1ccc2nc(Nc3nc4CCCc4c(=O)[nH]3)nc(C)c2c1
BDBM35431 COc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM35428 C(Sc1ccccc1)c1nc(no1)-c1ccncc1
BDBM35357 CCCCNC(=O)CSc1nnc(-c2ccco2)n1C
BDBM35361 [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
BDBM35432 Clc1ccc(CNC2=CC(=O)CC2)cc1Cl |t:7|
BDBM35433 CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM38797 COc1cccc2c(C)c([nH]c12)C(O)=O
BDBM38802 CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
BDBM38837 O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
BDBM41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
BDBM40576 Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O
BDBM40629 OC(=O)c1cccc(c1)-n1cccc1CN=O
BDBM40631 COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
BDBM40101 COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
BDBM43865 COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
BDBM41956 OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|
BDBM46141 O=C1CC(=O)N(Cc2ccco2)C(=O)N1
BDBM46212 COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
BDBM46213 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
BDBM46207 OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
BDBM46224 CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
BDBM46225 CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
BDBM46226 CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
BDBM46245 Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|
BDBM48721 Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
BDBM48853 COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
BDBM48775 Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
BDBM48873 OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
BDBM47669 OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
BDBM47086 Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
BDBM51065 Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12
BDBM51271 CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
BDBM50143 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
BDBM50513 Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
BDBM50647 Oc1cc2cccc(=O)c(O)c2c(O)c1O
BDBM50696 OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
BDBM50703 CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
BDBM50422 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
BDBM49124 CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
BDBM53487 Fc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccco1
BDBM53488 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
BDBM53489 NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12
BDBM53490 CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccccn1
BDBM53491 COc1ccc(Cc2nn3c(nnc3s2)-c2cc(OC)c(OC)c(OC)c2)cc1
BDBM53492 OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM53493 COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1
BDBM53486 CCOC(=O)c1cc2sccc2n1Cc1ccccc1
BDBM51766 COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
BDBM51767 Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
BDBM51768 Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
BDBM51773 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
BDBM51775 CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
BDBM51777 Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
BDBM51778 OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl |(16.37,-1.33,;15.6,,;16.37,1.33,;14.06,,;13.29,-1.33,;11.75,-1.33,;10.98,,;11.75,1.33,;13.29,1.33,;9.44,,;8.54,1.24,;9.02,2.7,;7.08,.77,;7.08,-.77,;8.54,-1.24,;9.02,-2.7,;5.75,-1.54,;5.75,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,;3.08,1.54,;5.75,1.54,;5.75,3.08,)|
BDBM51779 Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|
BDBM51780 OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1
BDBM51781 Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
BDBM51783 OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
BDBM51784 Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
BDBM51787 OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
BDBM51788 Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|
BDBM51789 OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
BDBM51790 Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
BDBM51791 Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM75323 OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
BDBM50060898 Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:9|
BDBM50094892 O=C1c2ccccc2C(=O)c2ccccc12
BDBM50099736 CCOC1=CC(=O)C(=O)c2ccccc12 |t:3|
BDBM50102180 OC(C(O)=O)c1ccco1
BDBM50267170 Oc1cc(NCC=O)c(O)c2ccccc12
BDBM50267171 Cc1c(O)c2ccccc2c(O)c1NCC=O
BDBM50267115 O=C1C2C(=NCCS2(=O)=O)C(=O)c2ccccc12 |c:3|
BDBM50267116 Oc1cccc2C(=O)C3=NCCS(=O)(=O)C3C(=O)c12 |t:8|
BDBM50267086 C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19|
BDBM50267087 O=C1C=CC(=O)c2cc3CCCCc3cc12 |c:2|
BDBM50267088 Oc1c2Oc2c(O)c2cc3CCCCc3cc12
BDBM50267114 O=C1C2C(=NCCS2(=O)=O)C(=O)c2cc3CCCCc3cc12 |c:3|
BDBM50311847 Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 |w:13.13|